1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one

C26H32ClN3O — CID 18889044

IUPAC1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H32ClN3O/c1-2-3-4-5-6-7-10-17-29-24-12-9-8-11-23(24)28-26(29)20-18-25(31)30(19-20)22-15-13-21(27)14-16-22/h8-9,11-16,20H,2-7,10,17-19H2,1H3
InChIKeyPMNQGXYLQZTYSC-UHFFFAOYSA-N
MW438.02 g/mol
LogP6.96
Rot. Bonds10

About 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one

1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 18889044) has the molecular formula C26H32ClN3O and a molecular weight of 438.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID18889044
Molecular FormulaC26H32ClN3O
Molecular Weight438.02 g/mol
Exact Mass437.22
IUPAC Name1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H32ClN3O/c1-2-3-4-5-6-7-10-17-29-24-12-9-8-11-23(24)28-26(29)20-18-25(31)30(19-20)22-15-13-21(27)14-16-22/h8-9,11-16,20H,2-7,10,17-19H2,1H3
InChIKeyPMNQGXYLQZTYSC-UHFFFAOYSA-N
XLogP6.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.02
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889038
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
(4S)-1-(4-methylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 94371555
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 18889097
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
(4S)-1-(4-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698944
(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080478
(4R)-1-(4-chlorophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813996

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one (CID 18889044) is 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCCCCCn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is PMNQGXYLQZTYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O/c1-2-3-4-5-6-7-10-17-29-24-12-9-8-11-23(24)28-26(29)20-18-25(31)30(19-20)22-15-13-21(27)14-16-22/h8-9,11-16,20H,2-7,10,17-19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 438.02 g/mol, XLogP of 6.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 18889044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).