3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one

C9H8FN3O — CID 103124229

IUPAC3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one
SMILESNc1ccc(F)cc1-n1cc[nH]c1=O
InChIInChI=1S/C9H8FN3O/c10-6-1-2-7(11)8(5-6)13-4-3-12-9(13)14/h1-5H,11H2,(H,12,14)
InChIKeyQSRXYUJIXLMYDI-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.89
Rot. Bonds1

About 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one

3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one (PubChem CID 103124229) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one
PubChem CID103124229
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one
SMILESNc1ccc(F)cc1-n1cc[nH]c1=O
InChIInChI=1S/C9H8FN3O/c10-6-1-2-7(11)8(5-6)13-4-3-12-9(13)14/h1-5H,11H2,(H,12,14)
InChIKeyQSRXYUJIXLMYDI-UHFFFAOYSA-N
XLogP0.89
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-5-fluorophenyl)-1H-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 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one (CID 103124229) is 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one is Nc1ccc(F)cc1-n1cc[nH]c1=O.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one?
The InChIKey is QSRXYUJIXLMYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-6-1-2-7(11)8(5-6)13-4-3-12-9(13)14/h1-5H,11H2,(H,12,14).
What are the key properties of 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one?
3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one has a molecular weight of 193.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 103124229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).