1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one

C13H16FN3O — CID 107347736

IUPAC1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cccc(N)c2F)c1=O
InChIInChI=1S/C13H16FN3O/c1-2-6-16-7-8-17(13(16)18)9-10-4-3-5-11(15)12(10)14/h3-5,7-8H,2,6,9,15H2,1H3
InChIKeyYPCZQVXRDXOGGR-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.83
Rot. Bonds4

About 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one

1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one (PubChem CID 107347736) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
PubChem CID107347736
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cccc(N)c2F)c1=O
InChIInChI=1S/C13H16FN3O/c1-2-6-16-7-8-17(13(16)18)9-10-4-3-5-11(15)12(10)14/h3-5,7-8H,2,6,9,15H2,1H3
InChIKeyYPCZQVXRDXOGGR-UHFFFAOYSA-N
XLogP1.83
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
2-fluoro-3-[(2-oxo-3-propylimidazol-1-yl)methyl]benzonitrile
CID 107115055
1-[(3-amino-2-fluorophenyl)methyl]-3-cyclopropylimidazol-2-one
CID 107347737
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-propylimidazol-2-one
CID 80579569
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
CID 107353254
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
CID 80582560
3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
CID 107347751
2-fluoro-3-(indol-1-ylmethyl)aniline
CID 107347629
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666
1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one
CID 107347649
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one (CID 107347736) is 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cccc(N)c2F)c1=O.
What is the InChIKey of 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one?
The InChIKey is YPCZQVXRDXOGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-6-16-7-8-17(13(16)18)9-10-4-3-5-11(15)12(10)14/h3-5,7-8H,2,6,9,15H2,1H3.
What are the key properties of 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one?
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 107347736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).