1-[(4-Chlorophenyl)methyl]benzimidazole

Base Information

• Chemical Name: 1-[(4-Chlorophenyl)methyl]benzimidazole
• CAS No.: 107456-42-8
• Molecular Formula: C₁₄H₁₁ClN₂
• Molecular Weight: 242.708
• European Community (EC) Number: 658-700-2
• DSSTox Substance ID: DTXSID801324114
• Pharos Ligand ID: QTVA68VZXPBN
• ChEMBL ID: CHEMBL1444873
• Mol file: 107456-42-8.mol

Synonyms:107456-42-8;1-[(4-chlorophenyl)methyl]benzimidazole;1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazole;1-(4-chlorobenzyl)-1H-benzo[d]imidazole;CHEMBL1444873;1-(4-chlorobenzyl)-1H-benzimidazole;1-(4-Chloro-benzyl)-1H-benzoimidazole;MLS000718927;1-(4-chlorobenzyl)benzimidazole;SCHEMBL14042406;DTXSID801324114;HMS2726L03;BDBM50335358;STL019912;AKOS000399672;SMR000291195;EN300-13909525;SR-01000259636;SR-01000259636-1;Z26333436;F1216-0156

Chemical Property of 1-[(4-Chlorophenyl)methyl]benzimidazole

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.0610761
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)Cl

Technology Process of 1-[(4-Chlorophenyl)methyl]benzimidazole

There total 11 articles about 1-[(4-Chlorophenyl)methyl]benzimidazole 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: 92.0%

benzoimidazole (51-17-2,79351-71-6) + 1-Chloro-4-(chloromethyl)benzene (104-83-6) → 1-(4-chlorobenzyl)-1H-benzo[d]imidazole (107456-42-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 27h; Inert atmosphere; Schlenk technique;

DOI:10.1080/00958972.2016.1231921

Reference yield: 92.0%

benzoimidazole (51-17-2,79351-71-6) + 4-chlorobenzyl bromide (622-95-7) → 1-(4-chlorobenzyl)-1H-benzo[d]imidazole (107456-42-8)

Guidance literature:

benzoimidazole; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.25h;

4-chlorobenzyl bromide; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1039/d0ra00738b

Reference yield: 76.0%

methanol (67-56-1) + N-(p-Chlorobenzyl)-2-nitro aniline (5822-16-2) → 1-(4-chlorobenzyl)-1H-benzo[d]imidazole (107456-42-8)

Guidance literature:

With iron; ammonium chloride; at 70 ℃; for 48h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/d1gc03907e

upstream raw materials:

formaldehyd

N-(p-Chlorophenylmethyl)-2-amino aniline

formic acid

benzoimidazole

Downstream raw materials:

1-(4-chlorobenzyl)-1H-benzo[d]imidazole-2-carbaldehyde

dichloro-(N-(4-chlorobenzyl)benzimidazole)(p-cymene)ruthenium

1,3-bis(4-chlorobenzyl)benzimidazolium chloride

C₂₅H₂₂ClN₇OS