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

C35H50ClN3O — CID 18889038

IUPAC1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C35H50ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38-33-21-18-17-20-32(33)37-35(38)29-27-34(40)39(28-29)31-24-22-30(36)23-25-31/h17-18,20-25,29H,2-16,19,26-28H2,1H3
InChIKeyVDJHXCZAQBFQMJ-UHFFFAOYSA-N
MW564.26 g/mol
LogP10.47
Rot. Bonds19

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

1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 18889038) has the molecular formula C35H50ClN3O and a molecular weight of 564.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID18889038
Molecular FormulaC35H50ClN3O
Molecular Weight564.26 g/mol
Exact Mass563.36
IUPAC Name1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C35H50ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38-33-21-18-17-20-32(33)37-35(38)29-27-34(40)39(28-29)31-24-22-30(36)23-25-31/h17-18,20-25,29H,2-16,19,26-28H2,1H3
InChIKeyVDJHXCZAQBFQMJ-UHFFFAOYSA-N
XLogP10.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.26
LogP ≤ 510.47
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-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889044
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-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one (CID 18889038) is 1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is VDJHXCZAQBFQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38-33-21-18-17-20-32(33)37-35(38)29-27-34(40)39(28-29)31-24-22-30(36)23-25-31/h17-18,20-25,29H,2-16,19,26-28H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 564.26 g/mol, XLogP of 10.47, 19 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-octadecylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 18889038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).