(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one

C22H23N3O2 — CID 9389364

IUPAC(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](C(=O)n3cnc4cc(C)c(C)cc43)CC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-16-5-7-18(8-6-16)24-12-17(11-21(24)26)22(27)25-13-23-19-9-14(2)15(3)10-20(19)25/h5-10,13,17H,4,11-12H2,1-3H3/t17-/m0/s1
InChIKeyUGJDOZAXLCLCJP-KRWDZBQOSA-N
MW361.45 g/mol
LogP3.91
Rot. Bonds3

About (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one

(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 9389364) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID9389364
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@@H](C(=O)n3cnc4cc(C)c(C)cc43)CC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-16-5-7-18(8-6-16)24-12-17(11-21(24)26)22(27)25-13-23-19-9-14(2)15(3)10-20(19)25/h5-10,13,17H,4,11-12H2,1-3H3/t17-/m0/s1
InChIKeyUGJDOZAXLCLCJP-KRWDZBQOSA-N
XLogP3.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 18885924
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
(2,5-dimethylphenyl) (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057285
(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471488
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one (CID 9389364) is (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one is CCc1ccc(N2C[C@@H](C(=O)n3cnc4cc(C)c(C)cc43)CC2=O)cc1.
What is the InChIKey of (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is UGJDOZAXLCLCJP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-16-5-7-18(8-6-16)24-12-17(11-21(24)26)22(27)25-13-23-19-9-14(2)15(3)10-20(19)25/h5-10,13,17H,4,11-12H2,1-3H3/t17-/m0/s1.
What are the key properties of (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one?
(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 9389364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).