4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one

C24H27N3O — CID 17005290

IUPAC4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C24H27N3O/c28-23-15-19(17-26(23)20-11-5-2-6-12-20)24-25-21-13-7-8-14-22(21)27(24)16-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19-20H,2,5-6,11-12,15-17H2
InChIKeyCPUZAXOMLNPYCN-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.73
Rot. Bonds4

About 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one

4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one (PubChem CID 17005290) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
PubChem CID17005290
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C24H27N3O/c28-23-15-19(17-26(23)20-11-5-2-6-12-20)24-25-21-13-7-8-14-22(21)27(24)16-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19-20H,2,5-6,11-12,15-17H2
InChIKeyCPUZAXOMLNPYCN-UHFFFAOYSA-N
XLogP4.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005302
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005304
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-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005301
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 16965073
1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005293
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005345
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
1-cyclopentyl-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965242
1-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one (CID 17005290) is 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1C1CCCCC1.
What is the InChIKey of 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one?
The InChIKey is CPUZAXOMLNPYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c28-23-15-19(17-26(23)20-11-5-2-6-12-20)24-25-21-13-7-8-14-22(21)27(24)16-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19-20H,2,5-6,11-12,15-17H2.
What are the key properties of 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one?
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 17005290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).