3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one

C16H19FN4O — CID 142974599

IUPAC3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCCCc1nccn1-c1ccc(N2CCC(N)C2=O)c(F)c1
InChIInChI=1S/C16H19FN4O/c1-2-3-15-19-7-9-20(15)11-4-5-14(12(17)10-11)21-8-6-13(18)16(21)22/h4-5,7,9-10,13H,2-3,6,8,18H2,1H3
InChIKeyHIRWTGZEXOXNAQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one

3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 142974599) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one
PubChem CID142974599
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCCCc1nccn1-c1ccc(N2CCC(N)C2=O)c(F)c1
InChIInChI=1S/C16H19FN4O/c1-2-3-15-19-7-9-20(15)11-4-5-14(12(17)10-11)21-8-6-13(18)16(21)22/h4-5,7,9-10,13H,2-3,6,8,18H2,1H3
InChIKeyHIRWTGZEXOXNAQ-UHFFFAOYSA-N
XLogP2.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone
CID 104613159
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylimidazole
CID 107086160
N-[4-(3-amino-2-oxopyrrolidin-1-yl)-3-fluorophenyl]-N-propan-2-ylformamide
CID 91282320
(2-amino-2-oxoethyl)-[[1-[4-[(3S)-3-[2-(5-chlorothiophen-2-yl)prop-1-enylsulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluorophenyl]imidazol-2-yl]methyl]-dimethylazanium
CID 173209073
(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one
CID 94237135
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
CID 114066424
1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-3-[(E)-(4-methylphenyl)methylideneamino]-1,3-diazinan-2-one
CID 143051292
1-[3-fluoro-4-[3-[hydroxysulfonothioyl(sulfanyl)amino]-2-oxopyrrolidin-1-yl]phenyl]-2-oxopyrazine
CID 142892047
1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
CID 79170583
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
CID 107086151
1-(2-fluoro-4-methylphenyl)imidazol-2-amine
CID 106560390

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one (CID 142974599) is 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one is CCCc1nccn1-c1ccc(N2CCC(N)C2=O)c(F)c1.
What is the InChIKey of 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is HIRWTGZEXOXNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-3-15-19-7-9-20(15)11-4-5-14(12(17)10-11)21-8-6-13(18)16(21)22/h4-5,7,9-10,13H,2-3,6,8,18H2,1H3.
What are the key properties of 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one?
3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 302.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-fluoro-4-(2-propylimidazol-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 142974599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).