4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one

C24H26ClN3O — CID 17005302

IUPAC4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1C1CCCCC1
InChIInChI=1S/C24H26ClN3O/c25-19-12-10-17(11-13-19)15-28-22-9-5-4-8-21(22)26-24(28)18-14-23(29)27(16-18)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-16H2
InChIKeyHAXSIQXGFZCQPT-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.39
Rot. Bonds4

About 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one

4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one (PubChem CID 17005302) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
PubChem CID17005302
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1C1CCCCC1
InChIInChI=1S/C24H26ClN3O/c25-19-12-10-17(11-13-19)15-28-22-9-5-4-8-21(22)26-24(28)18-14-23(29)27(16-18)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-16H2
InChIKeyHAXSIQXGFZCQPT-UHFFFAOYSA-N
XLogP5.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290
1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005301
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005304
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
1-cyclohexyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005272
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005293
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 16965073
1-cyclopentyl-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965242

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one (CID 17005302) is 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1C1CCCCC1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one?
The InChIKey is HAXSIQXGFZCQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c25-19-12-10-17(11-13-19)15-28-22-9-5-4-8-21(22)26-24(28)18-14-23(29)27(16-18)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-16H2.
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one?
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one has a molecular weight of 407.95 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 17005302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).