4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one

C24H33N3O — CID 16965247

IUPAC4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCC2CCCCC2)CN1C1CCCC1
InChIInChI=1S/C24H33N3O/c28-23-16-19(17-27(23)20-10-4-5-11-20)24-25-21-12-6-7-13-22(21)26(24)15-14-18-8-2-1-3-9-18/h6-7,12-13,18-20H,1-5,8-11,14-17H2
InChIKeyJWRBURYSLYUOKC-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.27
Rot. Bonds5

About 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one

4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 16965247) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
PubChem CID16965247
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCC2CCCCC2)CN1C1CCCC1
InChIInChI=1S/C24H33N3O/c28-23-16-19(17-27(23)20-10-4-5-11-20)24-25-21-12-6-7-13-22(21)26(24)15-14-18-8-2-1-3-9-18/h6-7,12-13,18-20H,1-5,8-11,14-17H2
InChIKeyJWRBURYSLYUOKC-UHFFFAOYSA-N
XLogP5.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
1-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220
1-cyclohexyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005272
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005345
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005302
1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842072
1-cyclohexyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005363
1-cyclohexyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005389
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005304

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one (CID 16965247) is 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCC2CCCCC2)CN1C1CCCC1.
What is the InChIKey of 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is JWRBURYSLYUOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c28-23-16-19(17-27(23)20-10-4-5-11-20)24-25-21-12-6-7-13-22(21)26(24)15-14-18-8-2-1-3-9-18/h6-7,12-13,18-20H,1-5,8-11,14-17H2.
What are the key properties of 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 379.55 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 16965247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).