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

C30H26FN3O2 — CID 18889144

IUPAC1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCOc2cccc3ccccc23)CN1c1ccc(F)cc1
InChIInChI=1S/C30H26FN3O2/c31-23-13-15-24(16-14-23)34-20-22(19-29(34)35)30-32-26-10-3-4-11-27(26)33(30)17-6-18-36-28-12-5-8-21-7-1-2-9-25(21)28/h1-5,7-16,22H,6,17-20H2
InChIKeyHOBJYGOSGDCMSO-UHFFFAOYSA-N
MW479.56 g/mol
LogP6.32
Rot. Bonds7

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

1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889144) has the molecular formula C30H26FN3O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18889144
Molecular FormulaC30H26FN3O2
Molecular Weight479.56 g/mol
Exact Mass479.20
IUPAC Name1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCOc2cccc3ccccc23)CN1c1ccc(F)cc1
InChIInChI=1S/C30H26FN3O2/c31-23-13-15-24(16-14-23)34-20-22(19-29(34)35)30-32-26-10-3-4-11-27(26)33(30)17-6-18-36-28-12-5-8-21-7-1-2-9-25(21)28/h1-5,7-16,22H,6,17-20H2
InChIKeyHOBJYGOSGDCMSO-UHFFFAOYSA-N
XLogP6.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-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-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889085
(4S)-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814857
(4R)-4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814109
(4S)-1-(4-fluorophenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814113
4-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004627
1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3160034
1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004218
1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889343
4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 18889135
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964789
(4R)-4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814128

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18889144) is 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCCOc2cccc3ccccc23)CN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HOBJYGOSGDCMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O2/c31-23-13-15-24(16-14-23)34-20-22(19-29(34)35)30-32-26-10-3-4-11-27(26)33(30)17-6-18-36-28-12-5-8-21-7-1-2-9-25(21)28/h1-5,7-16,22H,6,17-20H2.
What are the key properties of 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 479.56 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).