5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

C13H16FN3O — CID 79960498

IUPAC5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccccc1F
InChIInChI=1S/C13H16FN3O/c1-8(2)7-17-11(12(15)16-13(17)18)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H2,15,16,18)
InChIKeyGBRCORVPJKRNAA-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.32
Rot. Bonds3

About 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79960498) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79960498
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccccc1F
InChIInChI=1S/C13H16FN3O/c1-8(2)7-17-11(12(15)16-13(17)18)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H2,15,16,18)
InChIKeyGBRCORVPJKRNAA-UHFFFAOYSA-N
XLogP2.32
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79960498) is 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1c1ccccc1F.
What is the InChIKey of 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is GBRCORVPJKRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(2)7-17-11(12(15)16-13(17)18)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 249.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).