1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one

C30H26ClN3O2 — CID 18889086

IUPAC1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C30H26ClN3O2/c31-24-11-13-25(14-12-24)34-20-23(19-29(34)35)30-32-27-8-3-4-9-28(27)33(30)16-5-17-36-26-15-10-21-6-1-2-7-22(21)18-26/h1-4,6-15,18,23H,5,16-17,19-20H2
InChIKeyXROZAQIIFSTBEW-UHFFFAOYSA-N
MW496.01 g/mol
LogP6.83
Rot. Bonds7

About 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889086) has the molecular formula C30H26ClN3O2 and a molecular weight of 496.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18889086
Molecular FormulaC30H26ClN3O2
Molecular Weight496.01 g/mol
Exact Mass495.17
IUPAC Name1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C30H26ClN3O2/c31-24-11-13-25(14-12-24)34-20-23(19-29(34)35)30-32-27-8-3-4-9-28(27)33(30)16-5-17-36-26-15-10-21-6-1-2-7-22(21)18-26/h1-4,6-15,18,23H,5,16-17,19-20H2
InChIKeyXROZAQIIFSTBEW-UHFFFAOYSA-N
XLogP6.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 18889097
(4S)-4-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40852493
(4R)-1-(4-chlorophenyl)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814069
(4R)-1-(4-chlorophenyl)-4-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814059
(4R)-1-(4-chlorophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813996
1-(3,5-dimethylphenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004244
(4R)-4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814128
1-(4-chlorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889085
(4S)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40812310
(4S)-1-(4-chlorophenyl)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814015
(4S)-1-(4-ethoxyphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40775584
1-(4-chlorophenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889061

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18889086) is 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is XROZAQIIFSTBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN3O2/c31-24-11-13-25(14-12-24)34-20-23(19-29(34)35)30-32-27-8-3-4-9-28(27)33(30)16-5-17-36-26-15-10-21-6-1-2-7-22(21)18-26/h1-4,6-15,18,23H,5,16-17,19-20H2.
What are the key properties of 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 496.01 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).