1-(4-fluorophenyl)-1H-imidazol-4-amine

• ChemBase ID: 813889
• Molecular Formular: C9H8FN3
• Molecular Mass: 177.1783232
• Monoisotopic Mass: 177.07022549
• SMILES: n1(cnc(c1)N)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)n1cnc(c1)N
• InChI: InChI=1S/C9H8FN3/c10-7-1-3-8(4-2-7)13-5-9(11)12-6-13/h1-6H,11H2
• InChIKey: HSJHWNAOMDKSOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-1H-imidazol-4-amine
• IUPAC Traditional name: 1-(4-fluorophenyl)imidazol-4-amine
• Synonyms: 1-(4-fluorophenyl)-1H-imidazol-4-amine

Database IDs

• CAS Number: 1196151-78-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8837769
• LogD (pH = 7.4): 1.6025337
• Log P: 1.6446438
• Molar Refractivity: 59.2367 cm^3
• Polarizability: 18.209858 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%