41510-16-1

Basic information

• Product Name: Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)- (9CI)
• Synonyms: Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)- (9CI);1-(6-chloro-1H-benzimidazol-2-yl)ethanone(SALTDATA: FREE);1-(6-chloro-1H-benzo[d]imidazol-2-yl)ethanone hydrochloride
• CAS NO: 41510-16-1
• Molecular Formula: C₉H₇ClN₂O
• Molecular Weight: 194.61768
• Product Categories: BENZIMIDAZOLE
• Mol File: 41510-16-1.mol

Chemical Properties

• Boiling Point: 381.9°C at 760 mmHg
• Flash Point: 184.8°C
• Appearance: /
• Density: 1.404g/cm³
• Vapor Pressure: 4.91E-06mmHg at 25°C
• Refractive Index: 1.666
• CAS DataBase Reference: Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)- (9CI)(41510-16-1)
• EPA Substance Registry System: Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)- (9CI)(41510-16-1)

Safety Data

• Hazardous Substances Data: 41510-16-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)(9CI) is utilized as a compound of interest in pharmaceutical research and development. Its unique structure and properties make it a promising candidate for the development of new medications, particularly due to its potential biological activity against certain diseases or conditions.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)(9CI) serves as a valuable component for the design and synthesis of novel therapeutic agents. Its heterocyclic nature and potential interactions with biological targets make it a useful building block for creating new pharmaceuticals with improved efficacy and selectivity.
Used as a Building Block for Organic Synthesis:
Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)(9CI) also has potential uses as a building block for the synthesis of other organic compounds. Its chemical properties and reactivity can be harnessed to create a variety of new molecules with diverse applications, further expanding the utility of Ethanone, 1-(5-chloro-1H-benzimidazol-2-yl)- (9CI) in the field of organic chemistry.

InChI:InChI=1/C9H7ClN2O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-4H,1H3,(H,11,12)

Upstream product

• 20033-96-9 1-(5-chloro-1H-benzo[d]imidazo l-2-yl)ethan-1-ol 
• 95-83-0 4-Chloro-1,2-phenylenediamine 
• 20033-96-9 6-chloro-2-(α-hydroxyethyl)benzimidazole 
• 1635-61-6 5-chloro-2-nitroaniline 

Downstream Products

• 1253394-82-9 1-(1-benzyl-5-chloro-1H-benzo[d]imidazol-2-yl)-1-ethanone 
• 13253-59-3 4-(5-chloro-1H-benzo[d]imidazol-2-yl)-1,3-thiazol-2-amine 
• 1251827-93-6 C₁₆H₁₀ClN₃O₃ 
• 1251827-92-5 C₁₈H₁₅ClN₂O 
• 1426542-94-0 2-[1-(5-chloro-1H-benzimidazol-2-yl)ethylidene]-N-phenylhydrazine carbothioamide 
• 1426544-51-5 2-[1-(5-chloro-1H-benzimidazol-2-yl)ethylidene]-N-cyclohexylhydrazine carbothioamide 

Relevant articles and documents

Synthesis and fungicidal activity of 2-acetyl-6-(un)substituted-1H- benzimidazole oxime-ethers

Twelve novel compounds of 2-acetyl-1H-benzimidazole oxime-ethers and 2-acetyl-6-chloro-1H-benzimidazole oxime-ethers were synthesized with o-phenylenediamine (or 4-chloro-o-phenylenediamine), 2-hydroxypropyl acid, alkoxy (or benzyloxy) amines hydrochloride as starting materials. The structures of the target compounds were characterized by IR, 1H NMR spectra and elemental analyses. The in vitro fungicidal activities against Botrytis cinerea Pers and Alternaria alternata were also evaluated by mycelium growth rate method. The results indicate that the compounds 3b, 3c, 3f, 3g and 3h exhibit good activities against Botrytis cinerea Pers, while 3b and 3f possess excellent activities against Alternaria alternate, and their fungicidal activities are all higher than that of carbendazim.

Novel cathepsin K inhibitors block osteoclasts in vitro and increase spinal bone density in zebrafish

Cathepsin K (Cat K) is a predominant cysteine protease and highly potent collagenase expressed in osteoclasts. Cat K inhibitors are anti-resorptive agents to treat osteoporosis. A novel scaffold of cathepsin K inhibitors, exemplified by lead compound 1x, was used as the template for designing and synthesizing a total of 61 derivatives that have not been reported before. An exploratory structure-activity relationship analysis identified the potent Cat K inhibitor A22, which displayed an IC50 value of 0.44 μM against Cat K. A22 was very specific for Cat K and caused a significantly higher in vitro inhibition of the enzyme as compared to that of lead compound 1x. A surface plasmon resonance analysis confirmed in vitro binding of A22 to Cat K. Molecular docking studies indicated several favourable interaction sites for A22 within the active pocket of Cat K. Furthermore, A22 also blocked active osteoclasts in vitro and increased spinal bone density in zebrafish, in which it showed an activity that was higher than that of the marketed therapeutic bone metabolizer etidronate disodium. A22 represents a very promising lead compound for the development of novel antiresorptive agents functioning as orthosteric inhibitors of Cat K.

Benzimidazole compound as well as preparation method and application thereof

The invention provides a benzimidazole compound as well as a preparation method and application thereof. A compound provided by the invention is in a structure as shown in a formula (I-a) or a structure as shown in a formula (I-b); by binging a specific b

Synthesis and antimicrobial activity of some new pyrimidines of 6-chlorobenzimidazoles

A new series of pyrimidines of 6-chlorobenzimidazoles have been synthesized by the reaction of chalcone derivatives of 6-chlorobenzimidazole with guanidine nitrate in ethanol and aqueous solution of sodium hydroxide for evaluating them as potent antimicrobial agents. Results reveal that, compounds exhibited significant antibacterial and antifungal activities.

Compositions containing five-membered unsaturated heterocyclic structure of the α, β unsaturated ketone compound and its preparation method and application

The invention provides alpha, beta unsaturated ketone compounds containing benzo five-membered unsaturated heterocycle structures as well as a preparation method and an application and use of the compounds. The alpha, beta unsaturated ketone compounds containing the benzo five-membered unsaturated heterocycle structures have the structure of a formula (I). In addition, the invention further provides a method for preparing the compounds and a pharmaceutical composition containing the components as active components. In vitro activity tests show that the compounds provided by the invention show a remarkable inhibiting effect on tumor cells. Therefore, the invention lays a foundation for lucubrating and developing anti-tumor medicines in the future and meanwhile further provides a new technical means for treating tumor diseases.

Synthesis of some novel thiosemicarbazone derivatives having anti-cancer, anti-HIV as well as anti-bacterial activity

Some new thiosemicarbazones containing benzimidazole moiety have been synthesized and their ability to inhibit growth of 60 human cancer cell lines, in vitro replication of HIV virus strains as well as inhibition capacity for various bacterial strains have been evaluated. One compound 2-|l-(5-chloro-l//- benzimidazol-2-yl) ethylidene] N-phenylhydrazincarbothioamide (S2) (NSC 92491) has been selected for five dosage screening and shows remarkable anticancer activity along with good anti-HIV and anti-bacterial activities. The structures of all the compounds have been confirmed by FT-IR, NMR, and Mass spectra and by elemental analysis.

Synthesis and antimicrobial activity of some novel 4-(1H-benz[d]imidazol- 2yl)-1,3-thiazol-2-amines

A new series of novel 4-(1H-benz[d]imidazol-2yl)-1,3-thiazol-2-amines 5a-d and 4-(1H-benz[d]imidazol-2yl)-3-alkyl-2,3-dihydro-1,3-thiazol-2-amine 8a-d has been synthesized by the cyclocondensation of 2-acetyl benzimidiazoles 4a-d and 2-bromo-1-(1-alkyl-1H

Synthesis and antibacterial activity of some novel 6-(1H-benz[d] imidazol-2-yl)-8-(5-nitro-2-furyl)-3-(4-pyridyl)-7,8-dihydro[1,2,4] triazolo[3,4-b][1,3,4]thiadiazepines

A new series of novel 6-(1H-benz[d]imidazol-2-yl)-8-(5-nitro-2-furyl)-3-(4- pyridyl)-7,8-dihydro[1,2,4]triazolo[ 3,4-b][1,3,4]thiadiazepines 8a - d has been synthesized. These compounds were evaluated for their efficiency as antibacterial agents against two Gram-positive and Gram-negative strains of bacteria along with anti-fungal activity against two fungal organisms. The antibacterial and antifungal activities of the present compounds were not comparable with those of the standard drugs employed. But, however, all the test compounds could exhibit notable activities only at higher concentrations (250, 500 μg/ml). The chemical structures of these compounds were confirmed on the basis of spectral data.

Synthesis and biological evaluation of some novel-3-(5-substituted benzimidazol-2-yl)-5-arylisoxazolines

The synthesis of a new series of 3-(5-substituted benzimidazol-2-yl)-5-arylisoxazolines (6a-h) was achieved in excellent yields by the condensation of 1-(1H-benzimidazol-2-yl)-3-(substituted phenyl)prop-2-en-1-ones (5a-h) with hydroxylamine at room temperature. These 1-(1H-benzimidazol-2-yl)-3-(substituted phenyl)prop-2-en-1-ones (5a-h) were obtained by the condensation of 2-acetyl benzimidazoles (4a-d) with different aromatic aldehydes, which in turn were obtained by the oxidation of 2-(α-hydroxy)ethyl benzimidazoles (3a-d) prepared by the reaction of o-phenylenediamines (1a-d) with α-hydroxy propionic acid 2. The synthesized compounds were characterized by their IR, 1H NMR and MS analyses. These compounds were screened for their antibacterial and antifungal activity by standard methods and found some of them active.