1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one

C20H20FN3O — CID 4754106

IUPAC1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)n1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C20H20FN3O/c1-13(2)24-18-10-6-4-8-16(18)22-20(24)14-11-19(25)23(12-14)17-9-5-3-7-15(17)21/h3-10,13-14H,11-12H2,1-2H3
InChIKeyNGEDGNQJDCVHHA-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4754106) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4754106
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)n1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C20H20FN3O/c1-13(2)24-18-10-6-4-8-16(18)22-20(24)14-11-19(25)23(12-14)17-9-5-3-7-15(17)21/h3-10,13-14H,11-12H2,1-2H3
InChIKeyNGEDGNQJDCVHHA-UHFFFAOYSA-N
XLogP4.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080560
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080526
(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 933954
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
1-(2-chlorophenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889252
(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40698966
1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754134
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
4-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003431
1-(2-fluorophenyl)-4-[1-[2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43841668
1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18811111

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one (CID 4754106) is 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one is CC(C)n1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21.
What is the InChIKey of 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is NGEDGNQJDCVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13(2)24-18-10-6-4-8-16(18)22-20(24)14-11-19(25)23(12-14)17-9-5-3-7-15(17)21/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 337.40 g/mol, XLogP of 4.28, 3 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-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4754106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).