N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide

Base Information

• Chemical Name: N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide
• CAS No.: 107313-47-3
• Molecular Formula: C16H15 N3 O
• Molecular Weight: 265.315
• DSSTox Substance ID: DTXSID40350177
• Wikidata: Q82125981
• ChEMBL ID: CHEMBL4441740
• Mol file: 107313-47-3.mol

Synonyms:107313-47-3;N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide;N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide;N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]benzamide;Benzamide,N-[2-(1H-benzimidazol-2-yl)ethyl]-;N-(2-(1H-Benzo[d]imidazol-2-yl)ethyl)benzamide;N-(2-(1H-BENZOIMIDAZOL-2-YL)-ETHYL)-BENZAMIDE;Enamine_003778;Oprea1_306050;Oprea1_501442;CBDivE_010369;CHEMBL4441740;SCHEMBL13405884;2-(benzamido) ethylbenzimidazole;DTXSID40350177;HMS1404L16;STL356902;AKOS000116755;IDI1_007421;BB 0242031;CS-0219404;EN300-03903;AB00074483-01;N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzami de;SR-01000405673;SR-01000405673-1;Z56853810

Chemical Property of N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide

Chemical Property:

• Vapor Pressure: 1.85E-14mmHg at 25°C
• Boiling Point: 602.3°C at 760 mmHg
• Flash Point: 318°C
• PSA: 61.27000
• Density: 1.247g/cm³
• LogP: 3.11020
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 265.121512110
• Heavy Atom Count: 20
• Complexity: 328

Purity/Quality:

98%min ^*data from raw suppliers

N-[2-(1H-BENZOIMIDAZOL-2-YL)-ETHYL]-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCCC2=NC3=CC=CC=C3N2

Technology Process of N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide

There total 5 articles about N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide 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: 76.0%

2-(1H-benzimidazol-2-yl)ethylamine (29518-68-1) + benzoyl chloride (98-88-4) → N-(2-(1H-benzimidazole-2-yl)ethyl)benzamide (107313-47-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 3h; Reflux;

DOI:10.1016/j.bmc.2013.10.052

Reference yield: 41.0%

N-benzoyl-beta-alanine (3440-28-6) + 1,2-diamino-benzene (95-54-5) → N-(2-(1H-benzimidazole-2-yl)ethyl)benzamide (107313-47-3)

Guidance literature:

at 110 ℃; for 0.166667h;

Reference yield:

benzoyl chloride (98-88-4) + 1,2-diamino-benzene (95-54-5) + 3-amino propanoic acid (107-95-9) → N-(2-(1H-benzimidazole-2-yl)ethyl)benzamide (107313-47-3)

Guidance literature:

benzoyl chloride; 3-amino propanoic acid; With sulfuric acid; In water; for 0.25h; pH=2-9;

1,2-diamino-benzene; With sulfuric acid; for 3h; Reflux;

DOI:10.1007/s12039-015-0850-x

upstream raw materials:

N-benzoyl-beta-alanine

1,2-diamino-benzene

benzoyl chloride

2-(1H-benzimidazol-2-yl)ethylamine

Downstream raw materials:

Co(C₆H₅CONH(CH₂)2CNNHC₆H₄)2Cl₂

2-(1H-benzimidazol-2-yl)ethylamine

Refernces

• 1、 Elshihawy, Hosam,Helal, Mohamed A.,Said, Mohamed,Hammad, Mohamed A.. "Design, synthesis, and enzyme kinetics of novel benzimidazole and quinoxaline derivatives as methionine synthase inhibitors". . p. 550 - 558. Retrieved 2014/01/17.