Benzamide, N-[4-(1H-benzimidazol-2-yl)phenyl]-

Base Information

• Chemical Name: Benzamide, N-[4-(1H-benzimidazol-2-yl)phenyl]-
• CAS No.: 98806-50-9
• Molecular Formula: C20H15N3O
• Molecular Weight: 313.359
• DSSTox Substance ID: DTXSID10351454
• Wikidata: Q82127877
• ChEMBL ID: CHEMBL4285334
• Mol file: 98806-50-9.mol

Synonyms:98806-50-9;Benzamide, N-[4-(1H-benzimidazol-2-yl)phenyl]-;N-[4-(1H-benzimidazol-2-yl)phenyl]benzamide;CHEMBL4285334;N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)benzamide;CBMicro_025537;ChemDiv2_003959;Oprea1_729116;SCHEMBL2242293;DTXSID10351454;HMS1380D21;BDBM50541086;CCG-12370;STK864734;AKOS002180625;IDI1_002674;BIM-0025306.P001;F0783-0095

Chemical Property of Benzamide, N-[4-(1H-benzimidazol-2-yl)phenyl]-

Chemical Property:

• PSA: 57.78000
• LogP: 4.55520
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 313.121512110
• Heavy Atom Count: 24
• Complexity: 427

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

Technology Process of Benzamide, N-[4-(1H-benzimidazol-2-yl)phenyl]-

There total 9 articles about Benzamide, N-[4-(1H-benzimidazol-2-yl)phenyl]- 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: 60.0%

N-Boc-2-(4-benzamidophenyl)-1H-benzo[d]imidazole → N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)benzamide (98806-50-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2019.115257

Reference yield: 60.0%

4-(1H-benzimidazol-2-yl)aniline (2963-77-1) + 4-aminobenzoyl chloride (16106-38-0) → N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)benzamide (98806-50-9)

Guidance literature:

With pyridine; at -40 ℃;

DOI:10.1016/j.ejmech.2018.09.060

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)benzamide (98806-50-9)

Guidance literature:

Multi-step reaction with 3 steps

2: tin dichloride; crude hydrochloric acid

3: NaOH-solution

With hydrogenchloride; sodium hydroxide; tin(ll) chloride;

upstream raw materials:

4-(1H-benzimidazol-2-yl)aniline

benzoyl chloride

4-nitro-N-(2-nitrophenyl)benzamide

4-nitro-benzoyl chloride