(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

C21H23N3O — CID 6941280

IUPAC(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](c3nc4ccccc4n3CC)CC2=O)cc1
InChIInChI=1S/C21H23N3O/c1-3-15-9-11-17(12-10-15)24-14-16(13-20(24)25)21-22-18-7-5-6-8-19(18)23(21)4-2/h5-12,16H,3-4,13-14H2,1-2H3/t16-/m1/s1
InChIKeyWINLGPZAYVIGNH-MRXNPFEDSA-N
MW333.44 g/mol
LogP4.14
Rot. Bonds4

About (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 6941280) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID6941280
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](c3nc4ccccc4n3CC)CC2=O)cc1
InChIInChI=1S/C21H23N3O/c1-3-15-9-11-17(12-10-15)24-14-16(13-20(24)25)21-22-18-7-5-6-8-19(18)23(21)4-2/h5-12,16H,3-4,13-14H2,1-2H3/t16-/m1/s1
InChIKeyWINLGPZAYVIGNH-MRXNPFEDSA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080385
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
(4S)-1-(4-ethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35180053
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839
(4S)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115890
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 17004855
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
1-(4-ethoxyphenyl)-4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18878739
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
1-(3-bromophenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242612

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (CID 6941280) is (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC)CC2=O)cc1.
What is the InChIKey of (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is WINLGPZAYVIGNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-15-9-11-17(12-10-15)24-14-16(13-20(24)25)21-22-18-7-5-6-8-19(18)23(21)4-2/h5-12,16H,3-4,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 6941280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).