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

C21H20FN3O2 — CID 17005867

IUPAC1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(=O)C(C)n1c(C2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C21H20FN3O2/c1-13(14(2)26)25-19-9-4-3-8-18(19)23-21(25)15-10-20(27)24(12-15)17-7-5-6-16(22)11-17/h3-9,11,13,15H,10,12H2,1-2H3
InChIKeyRRCIARDWGYUDRW-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.85
Rot. Bonds4

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

1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17005867) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17005867
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(=O)C(C)n1c(C2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C21H20FN3O2/c1-13(14(2)26)25-19-9-4-3-8-18(19)23-21(25)15-10-20(27)24(12-15)17-7-5-6-16(22)11-17/h3-9,11,13,15H,10,12H2,1-2H3
InChIKeyRRCIARDWGYUDRW-UHFFFAOYSA-N
XLogP3.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004299
2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19242486
1-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434
(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 933954
(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40698966
(4R)-1-(3-fluorophenyl)-4-[1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408113
(4S)-1-(3-fluorophenyl)-4-[1-[(2R)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 39116016
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
(4S)-4-[1-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 27407797
1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754106
4-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 43841589
1-(3-fluorophenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242518

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17005867) is 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one is CC(=O)C(C)n1c(C2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is RRCIARDWGYUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13(14(2)26)25-19-9-4-3-8-18(19)23-21(25)15-10-20(27)24(12-15)17-7-5-6-16(22)11-17/h3-9,11,13,15H,10,12H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 365.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17005867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).