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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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).