2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole

C21H17ClN2 — CID 755507

IUPAC2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H17ClN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyAWVBWSWHJBTFNM-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.33
Rot. Bonds4

About 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole

2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole (PubChem CID 755507) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole
PubChem CID755507
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H17ClN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyAWVBWSWHJBTFNM-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lerisetron
CID 65997
Clemizole Hydrochloride
CID 5309446
Clemizole
CID 2782
Chlormidazole
CID 71821
Chlorfenazole
CID 77123
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
CID 468847
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
CID 468848

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole (CID 755507) is 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole is Clc1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole?
The InChIKey is AWVBWSWHJBTFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16/h1-13H,14-15H2.
What are the key properties of 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole?
2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole has a molecular weight of 332.83 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 755507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).