1,2-dibenzyl-6-chlorobenzimidazole

C21H17ClN2 — CID 46311010

IUPAC1,2-dibenzyl-6-chlorobenzimidazole
SMILESClc1ccc2nc(Cc3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C21H17ClN2/c22-18-11-12-19-20(14-18)24(15-17-9-5-2-6-10-17)21(23-19)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2
InChIKeyPRNYOMGBPZZZTI-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.33
Rot. Bonds4

About 1,2-dibenzyl-6-chlorobenzimidazole

1,2-dibenzyl-6-chlorobenzimidazole (PubChem CID 46311010) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1,2-dibenzyl-6-chlorobenzimidazole.

Molecular Properties

Compound Name1,2-dibenzyl-6-chlorobenzimidazole
PubChem CID46311010
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name1,2-dibenzyl-6-chlorobenzimidazole
SMILESClc1ccc2nc(Cc3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C21H17ClN2/c22-18-11-12-19-20(14-18)24(15-17-9-5-2-6-10-17)21(23-19)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2
InChIKeyPRNYOMGBPZZZTI-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

(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084278
1-[4-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 134084276
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 134084273
2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 10644374
ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18315443
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-6-chlorobenzimidazole?
The IUPAC name of 1,2-dibenzyl-6-chlorobenzimidazole (CID 46311010) is 1,2-dibenzyl-6-chlorobenzimidazole.
What is the SMILES notation for 1,2-dibenzyl-6-chlorobenzimidazole?
The canonical SMILES for 1,2-dibenzyl-6-chlorobenzimidazole is Clc1ccc2nc(Cc3ccccc3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1,2-dibenzyl-6-chlorobenzimidazole?
The InChIKey is PRNYOMGBPZZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c22-18-11-12-19-20(14-18)24(15-17-9-5-2-6-10-17)21(23-19)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2.
What are the key properties of 1,2-dibenzyl-6-chlorobenzimidazole?
1,2-dibenzyl-6-chlorobenzimidazole 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 1,2-dibenzyl-6-chlorobenzimidazole is sourced from PubChem (CID 46311010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).