2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole

C22H19ClN2 — CID 16995695

IUPAC2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
SMILESClc1ccccc1Cc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C22H19ClN2/c23-19-11-5-4-10-18(19)16-22-24-20-12-6-7-13-21(20)25(22)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2
InChIKeyDYQFHGOLTSSHHO-UHFFFAOYSA-N
MW346.86 g/mol
LogP5.52
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole

2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole (PubChem CID 16995695) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
PubChem CID16995695
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
SMILESClc1ccccc1Cc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C22H19ClN2/c23-19-11-5-4-10-18(19)16-22-24-20-12-6-7-13-21(20)25(22)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2
InChIKeyDYQFHGOLTSSHHO-UHFFFAOYSA-N
XLogP5.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718
N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16995805
2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 16995673
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
CID 16995771

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole (CID 16995695) is 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole is Clc1ccccc1Cc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole?
The InChIKey is DYQFHGOLTSSHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2/c23-19-11-5-4-10-18(19)16-22-24-20-12-6-7-13-21(20)25(22)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole?
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole has a molecular weight of 346.86 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 16995695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).