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

C26H24FN3O — CID 4754134

IUPAC1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCc2ccccc2)CN1c1ccccc1F
InChIInChI=1S/C26H24FN3O/c27-21-12-4-6-14-23(21)30-18-20(17-25(30)31)26-28-22-13-5-7-15-24(22)29(26)16-8-11-19-9-2-1-3-10-19/h1-7,9-10,12-15,20H,8,11,16-18H2
InChIKeyPSCKUKHOENVTMQ-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.33
Rot. Bonds6

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

1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 4754134) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID4754134
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC Name1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCc2ccccc2)CN1c1ccccc1F
InChIInChI=1S/C26H24FN3O/c27-21-12-4-6-14-23(21)30-18-20(17-25(30)31)26-28-22-13-5-7-15-24(22)29(26)16-8-11-19-9-2-1-3-10-19/h1-7,9-10,12-15,20H,8,11,16-18H2
InChIKeyPSCKUKHOENVTMQ-UHFFFAOYSA-N
XLogP5.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056
1-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003158
4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003459
(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080526
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003473
1-(2-fluorophenyl)-4-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003512
(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7010928
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
(4S)-1-(2-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7220273
4-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003431

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 4754134) is 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCCc2ccccc2)CN1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is PSCKUKHOENVTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c27-21-12-4-6-14-23(21)30-18-20(17-25(30)31)26-28-22-13-5-7-15-24(22)29(26)16-8-11-19-9-2-1-3-10-19/h1-7,9-10,12-15,20H,8,11,16-18H2.
What are the key properties of 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 413.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 4754134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).