1H-Benzimidazole, 5-chloro-2-phenyl-, hydrate

Base Information

Chemical Name:1H-Benzimidazole, 5-chloro-2-phenyl-, hydrate
CAS No.:4926-65-2
Molecular Formula:C13H11ClN2O
Molecular Weight:228.681
Hs Code.:
DSSTox Substance ID:DTXSID40197746
Mol file:4926-65-2.mol

Synonyms:1H-BENZIMIDAZOLE, 5-CHLORO-2-PHENYL-, HYDRATE;5-Chloro-2-phenyl-1H-benzimidazole hydrate;6-chloro-2-phenyl-1H-benzimidazole;hydrate;6-chloro-2-phenyl-1H-benzimidazole hydrate;C13H9ClN2.H2O;DTXSID40197746;C13-H9-Cl-N2.H2-O;LS-32797

Suppliers and Price of 1H-Benzimidazole, 5-chloro-2-phenyl-, hydrate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
5-Chloro-2-phenyl-1H-benzo[d]imidazole 97%
5g
$ 638.00

American Custom Chemicals Corporation
5-CHLORO-2-PHENYL-1H-BENZIMIDAZOLE 95.00%
5MG
$ 503.58

Total 7 raw suppliers

Chemical Property of 1H-Benzimidazole, 5-chloro-2-phenyl-, hydrate

Chemical Property:

Vapor Pressure:1.7E-07mmHg at 25°C
Melting Point:285 °C
Boiling Point:427°Cat760mmHg
PKA:9.72±0.10(Predicted)
Flash Point:244.6°C
PSA：37.91000
Density:g/cm³
LogP:3.81900
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:246.0559907
Heavy Atom Count:17
Complexity:240

Purity/Quality:

98% ^*data from raw suppliers

5-Chloro-2-phenyl-1H-benzo[d]imidazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl.O
General Description Based on the provided literature, **1H-BENZIMIDAZOLE, 6-CHLORO-2-PHENYL-** (or its alternative names) is identified as a benzimidazole derivative with potential α-chymotrypsin (α-CT) inhibitory activity. Specifically, it may act as a competitive inhibitor, with structural modifications (e.g., chloro and phenyl substituents) influencing its binding affinity and inhibitory potency. 1H-BENZIMIDAZOLE, 6-CHLORO-2-PHENYL-'s cytotoxicity profile and molecular docking studies suggest its relevance as a scaffold for designing serine protease inhibitors, though further optimization may be required to balance efficacy and safety.

Technology Process of 1H-Benzimidazole, 5-chloro-2-phenyl-, hydrate

There total 88 articles about 1H-Benzimidazole, 5-chloro-2-phenyl-, hydrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 100-52-7
benzaldehyde

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 4926-65-2
5-chloro-2-phenyl-1H-benzimidazole

Guidance literature:: With oxygen; cobalt(II) hydroxide; In ethanol; at 20 ℃; for 4h;
DOI:10.1016/j.tetlet.2011.08.047

Reference yield: 97.0%

: 100-52-7
benzaldehyde

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 4926-65-2
6‐chloro‐2‐phenyl‐1H-benzoimidazole

Guidance literature:: With [3-(1-methylimidazolium-3-yl)propane-1-sulfonate]3PW₁₂O₄₀; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide; at 40 ℃; for 10h;
DOI:10.1039/c5ra12044f

Reference yield: 96.0%

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 100-51-6,185532-71-2
benzyl alcohol

: 4926-65-2
6‐chloro‐2‐phenyl‐1H-benzoimidazole

Guidance literature:: With C₁₅H₁₅ClN₇Ru⁽¹⁺⁾*Cl^(1-); sodium tetraphenyl borate; 1,2-bis-(diphenylphosphino)ethane; at 165 ℃; for 12h; Schlenk technique; Inert atmosphere;
DOI:10.1002/cctc.201800017