1-(4-fluorophenyl)-1H-imidazole-5-carbohydrazide

• ChemBase ID: 233157
• Molecular Formular: C10H9FN4O
• Molecular Mass: 220.2030632
• Monoisotopic Mass: 220.07603915
• SMILES: c1(n(cnc1)c1ccc(cc1)F)C(=O)NN
• Canonical SMILES: NNC(=O)c1cncn1c1ccc(cc1)F
• InChI: InChI=1S/C10H9FN4O/c11-7-1-3-8(4-2-7)15-6-13-5-9(15)10(16)14-12/h1-6H,12H2,(H,14,16)
• InChIKey: ZWCCBSUUUFLVGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-1H-imidazole-5-carbohydrazide
• IUPAC Traditional name: 3-(4-fluorophenyl)imidazole-4-carbohydrazide
• Synonyms: 1-(4-fluorophenyl)-1H-imidazole-5-carbohydrazide

Database IDs

• MDL Number: MFCD06382830
• PubChem SID: 164289067
• PubChem CID: 5092120

CALCULATED PROPERTIES

• Acid pKa: 13.879688
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.25032717
• LogD (pH = 7.4): -0.19782619
• Log P: -0.1971
• Molar Refractivity: 67.6628 cm^3
• Polarizability: 21.376562 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 1.026

Product Information

• Purity: 95%