1H-Benzimidazole, 1-benzoyl-

Base Information

• Chemical Name: 1H-Benzimidazole, 1-benzoyl-
• CAS No.: 62573-86-8
• Molecular Formula: C14H10N2O
• Molecular Weight: 222.246
• DSSTox Substance ID: DTXSID10351818
• Nikkaji Number: J1.059.643B
• Wikidata: Q82128564
• ChEMBL ID: CHEMBL153600

Synonyms:1H-Benzimidazole, 1-benzoyl-;62573-86-8;(1H-Benzo[d]imidazol-1-yl)(phenyl)methanone;1-Benzoyl-1H-benzimidazole;N-benzoylbenzimidazole;Cambridge id 5172830;TimTec1_000806;CBDivE_006382;BDBM3788;CHEMBL153600;SCHEMBL3477048;1-Phenylbenzimidazole deriv. 5;1-benzoyl-1H-1,3-benzodiazole;DTXSID10351818;HMS1536E14;HMS3448I12;STK014967;1H-benzimidazol-1-yl(phenyl)methanone;AKOS000506064

Chemical Property of 1H-Benzimidazole, 1-benzoyl-

Chemical Property:

• PSA: 34.89000
• LogP: 2.72480
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.079312947
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

1-BENZOYL-1H-BENZIMIDAZOLE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C=NC3=CC=CC=C32

Technology Process of 1H-Benzimidazole, 1-benzoyl-

There total 26 articles about 1H-Benzimidazole, 1-benzoyl- 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%

benzoimidazole (51-17-2,79351-71-6) + benzaldehyde (100-52-7) → N-benzoylbenzimidazole (62573-86-8)

Guidance literature:

With tert.-butylhydroperoxide; potassium iodide; In water; 1,2-dichloro-ethane; at 100 ℃; for 12h; High pressure;

DOI:10.1039/c4cc01587h

Reference yield: 96.0%

benzoic acid anhydride (93-97-0) + N-[(2-nitrobenzene)sulfenyl]benzimidazole (79352-12-8) → bis(2-nitrophenyl)disulfide (1155-00-6) + N-benzoylbenzimidazole (62573-86-8) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With triphenylphosphine; In 1,4-dioxane; at 18 - 20 ℃; for 4h;

Reference yield: 93.5%

benzoic acid anhydride (93-97-0) + N-[(2-nitrobenzene)sulfenyl]benzimidazole (79352-12-8) → bis(2-nitrophenyl)disulfide (1155-00-6) + N-benzoylbenzimidazole (62573-86-8) + triethyl phosphate (78-40-0)

Guidance literature:

With triethyl phosphite; In 1,4-dioxane; at 18 - 20 ℃; for 4h;

upstream raw materials:

pyridine

benzoimidazole

benzoyl chloride

benzoyl cyanide

Downstream raw materials:

1,3-dibenzoyl-2,3-dihydro-1H-benzimidazol-2-ol

1-phenyl-propan-1-one

1,2-dibenzamidobenzene

1-benzoylamino-2-(benzoyl-formyl-amino)-benzene

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