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

C23H33N3O — CID 43842072

IUPAC1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2CCC2CCCCC2)CC1=O
InChIInChI=1S/C23H33N3O/c1-2-3-14-25-17-19(16-22(25)27)23-24-20-11-7-8-12-21(20)26(23)15-13-18-9-5-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-17H2,1H3
InChIKeyCANZVTCDIOGCAD-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.12
Rot. Bonds7

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

1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 43842072) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID43842072
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2CCC2CCCCC2)CC1=O
InChIInChI=1S/C23H33N3O/c1-2-3-14-25-17-19(16-22(25)27)23-24-20-11-7-8-12-21(20)26(23)15-13-18-9-5-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-17H2,1H3
InChIKeyCANZVTCDIOGCAD-UHFFFAOYSA-N
XLogP5.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.12
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-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 39115865
1-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17027774
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 129255816

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 43842072) is 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one is CCCCN1CC(c2nc3ccccc3n2CCC2CCCCC2)CC1=O.
What is the InChIKey of 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is CANZVTCDIOGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-2-3-14-25-17-19(16-22(25)27)23-24-20-11-7-8-12-21(20)26(23)15-13-18-9-5-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-17H2,1H3.
What are the key properties of 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 367.54 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 43842072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).