1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

C23H27N3O — CID 3841215

IUPAC1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-3-4-7-14-25-21-9-6-5-8-20(21)24-23(25)18-15-22(27)26(16-18)19-12-10-17(2)11-13-19/h5-6,8-13,18H,3-4,7,14-16H2,1-2H3
InChIKeyLFDQZQXFJOZTSS-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.06
Rot. Bonds6

About 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 3841215) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID3841215
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O/c1-3-4-7-14-25-21-9-6-5-8-20(21)24-23(25)18-15-22(27)26(16-18)19-12-10-17(2)11-13-19/h5-6,8-13,18H,3-4,7,14-16H2,1-2H3
InChIKeyLFDQZQXFJOZTSS-UHFFFAOYSA-N
XLogP5.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.06
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

(4S)-1-(4-methylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 94371555
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
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
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080478
(4S)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40812310
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
1-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (CID 3841215) is 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is LFDQZQXFJOZTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-3-4-7-14-25-21-9-6-5-8-20(21)24-23(25)18-15-22(27)26(16-18)19-12-10-17(2)11-13-19/h5-6,8-13,18H,3-4,7,14-16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 3841215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).