2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole

C21H17ClN2 — CID 18879539

IUPAC2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESClc1cccc(Cn2c(Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C21H17ClN2/c22-18-10-6-9-17(13-18)15-24-20-12-5-4-11-19(20)23-21(24)14-16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKeyLYMLPQKSRXGEAO-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.33
Rot. Bonds4

About 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole

2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole (PubChem CID 18879539) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
PubChem CID18879539
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESClc1cccc(Cn2c(Cc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C21H17ClN2/c22-18-10-6-9-17(13-18)15-24-20-12-5-4-11-19(20)23-21(24)14-16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKeyLYMLPQKSRXGEAO-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

1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418
N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 134084372
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
1-benzyl-2-chlorobenzimidazole
CID 3821987
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
1-[(2,6-dichlorophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987371

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole (CID 18879539) is 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole is Clc1cccc(Cn2c(Cc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole?
The InChIKey is LYMLPQKSRXGEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c22-18-10-6-9-17(13-18)15-24-20-12-5-4-11-19(20)23-21(24)14-16-7-2-1-3-8-16/h1-13H,14-15H2.
What are the key properties of 2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole?
2-benzyl-1-[(3-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-[(3-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 18879539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).