(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone

C26H25ClN2O — CID 70685998

IUPAC(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H25ClN2O/c1-17(2)15-19-11-13-20(14-12-19)18(3)25-28-23-9-4-5-10-24(23)29(25)26(30)21-7-6-8-22(27)16-21/h4-14,16-18H,15H2,1-3H3
InChIKeySGHNUKOSKYHHPV-UHFFFAOYSA-N
MW416.95 g/mol
LogP6.73
Rot. Bonds5

About (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone

(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone (PubChem CID 70685998) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone
PubChem CID70685998
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC Name(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H25ClN2O/c1-17(2)15-19-11-13-20(14-12-19)18(3)25-28-23-9-4-5-10-24(23)29(25)26(30)21-7-6-8-22(27)16-21/h4-14,16-18H,15H2,1-3H3
InChIKeySGHNUKOSKYHHPV-UHFFFAOYSA-N
XLogP6.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
CID 6998169
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7025660
methyl 2-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetate
CID 16996305
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole-5-carboxylic acid;ethane
CID 153381632
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 70688122
1-[(3,4-diethoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 70696453

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone (CID 70685998) is (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone?
The InChIKey is SGHNUKOSKYHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O/c1-17(2)15-19-11-13-20(14-12-19)18(3)25-28-23-9-4-5-10-24(23)29(25)26(30)21-7-6-8-22(27)16-21/h4-14,16-18H,15H2,1-3H3.
What are the key properties of (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone?
(3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone has a molecular weight of 416.95 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methanone is sourced from PubChem (CID 70685998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).