(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

C23H27N3O — CID 7080382

IUPAC(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCCCn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-3-5-14-25-21-9-7-6-8-20(21)24-23(25)18-15-22(27)26(16-18)19-12-10-17(4-2)11-13-19/h6-13,18H,3-5,14-16H2,1-2H3/t18-/m0/s1
InChIKeyVPMURRGKTNOQEZ-SFHVURJKSA-N
MW361.49 g/mol
LogP4.92
Rot. Bonds6

About (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 7080382) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID7080382
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCCCn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-3-5-14-25-21-9-7-6-8-20(21)24-23(25)18-15-22(27)26(16-18)19-12-10-17(4-2)11-13-19/h6-13,18H,3-5,14-16H2,1-2H3/t18-/m0/s1
InChIKeyVPMURRGKTNOQEZ-SFHVURJKSA-N
XLogP4.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.92
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
(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080478
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 6941280
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215
1-(4-ethoxyphenyl)-4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18878739
(4S)-1-(4-methylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 94371555
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
1-(4-ethylphenyl)-4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753786
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889044
1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889038

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (CID 7080382) is (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is CCCCn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21.
What is the InChIKey of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is VPMURRGKTNOQEZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O/c1-3-5-14-25-21-9-7-6-8-20(21)24-23(25)18-15-22(27)26(16-18)19-12-10-17(4-2)11-13-19/h6-13,18H,3-5,14-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 7080382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).