(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

C24H29N3O — CID 27407290

IUPAC(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-4-5-8-14-26-21-13-7-6-12-20(21)25-24(26)19-15-22(28)27(16-19)23-17(2)10-9-11-18(23)3/h6-7,9-13,19H,4-5,8,14-16H2,1-3H3/t19-/m0/s1
InChIKeyVVEHKXIPUDGGFD-IBGZPJMESA-N
MW375.52 g/mol
LogP5.36
Rot. Bonds6

About (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 27407290) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID27407290
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-4-5-8-14-26-21-13-7-6-12-20(21)25-24(26)19-15-22(28)27(16-19)23-17(2)10-9-11-18(23)3/h6-7,9-13,19H,4-5,8,14-16H2,1-3H3/t19-/m0/s1
InChIKeyVVEHKXIPUDGGFD-IBGZPJMESA-N
XLogP5.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003158
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 7080488
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
(4S)-1-(4-methylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 94371555
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003223
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
(4R)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42108740
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
1-(2,6-dimethylphenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615470
1-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434
1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965049

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (CID 27407290) is (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is VVEHKXIPUDGGFD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O/c1-4-5-8-14-26-21-13-7-6-12-20(21)25-24(26)19-15-22(28)27(16-19)23-17(2)10-9-11-18(23)3/h6-7,9-13,19H,4-5,8,14-16H2,1-3H3/t19-/m0/s1.
What are the key properties of (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 27407290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).