2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole

C21H17ClN2 — CID 5095173

IUPAC2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2/c22-18-12-10-17(11-13-18)21-23-19-8-4-5-9-20(19)24(21)15-14-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyVYMOFHYGOOOJDZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.60
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole

2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole (PubChem CID 5095173) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
PubChem CID5095173
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2/c22-18-12-10-17(11-13-18)21-23-19-8-4-5-9-20(19)24(21)15-14-16-6-2-1-3-7-16/h1-13H,14-15H2
InChIKeyVYMOFHYGOOOJDZ-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole
CID 58673237
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10475051
1-[4-(2-chlorophenoxy)butyl]-2-(4-chlorophenyl)benzimidazole
CID 17001082
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole (CID 5095173) is 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole is Clc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole?
The InChIKey is VYMOFHYGOOOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c22-18-12-10-17(11-13-18)21-23-19-8-4-5-9-20(19)24(21)15-14-16-6-2-1-3-7-16/h1-13H,14-15H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole?
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole has a molecular weight of 332.83 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 5095173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).