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

C21H29N3O — CID 40841216

IUPAC(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O
InChIInChI=1S/C21H29N3O/c1-2-23-15-17(14-20(23)25)21-22-18-10-6-7-11-19(18)24(21)13-12-16-8-4-3-5-9-16/h6-7,10-11,16-17H,2-5,8-9,12-15H2,1H3/t17-/m0/s1
InChIKeyWGJOQJSQFDHTPA-KRWDZBQOSA-N
MW339.48 g/mol
LogP4.34
Rot. Bonds5

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

(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (PubChem CID 40841216) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
PubChem CID40841216
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCN1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O
InChIInChI=1S/C21H29N3O/c1-2-23-15-17(14-20(23)25)21-22-18-10-6-7-11-19(18)24(21)13-12-16-8-4-3-5-9-16/h6-7,10-11,16-17H,2-5,8-9,12-15H2,1H3/t17-/m0/s1
InChIKeyWGJOQJSQFDHTPA-KRWDZBQOSA-N
XLogP4.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842072
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002423
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 25345296
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002398
2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17002492

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (CID 40841216) is (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is CCN1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O.
What is the InChIKey of (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The InChIKey is WGJOQJSQFDHTPA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N3O/c1-2-23-15-17(14-20(23)25)21-22-18-10-6-7-11-19(18)24(21)13-12-16-8-4-3-5-9-16/h6-7,10-11,16-17H,2-5,8-9,12-15H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one has a molecular weight of 339.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 40841216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).