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

C22H19ClN2 — CID 18878939

IUPAC1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
SMILESClc1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H19ClN2/c23-19-13-10-18(11-14-19)16-25-21-9-5-4-8-20(21)24-22(25)15-12-17-6-2-1-3-7-17/h1-11,13-14H,12,15-16H2
InChIKeyBLLLCHHGMUOJLJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP5.52
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole (PubChem CID 18878939) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
PubChem CID18878939
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
SMILESClc1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H19ClN2/c23-19-13-10-18(11-14-19)16-25-21-9-5-4-8-20(21)24-22(25)15-12-17-6-2-1-3-7-17/h1-11,13-14H,12,15-16H2
InChIKeyBLLLCHHGMUOJLJ-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

1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-3,3-dimethylbutanenitrile
CID 14953117
3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-ethylpentanoic acid
CID 14953080

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole (CID 18878939) is 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole is Clc1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole?
The InChIKey is BLLLCHHGMUOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2/c23-19-13-10-18(11-14-19)16-25-21-9-5-4-8-20(21)24-22(25)15-12-17-6-2-1-3-7-17/h1-11,13-14H,12,15-16H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-2-(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 1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 18878939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).