2-(4-fluorophenyl)-1-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]-1H-imidazole

• ChemBase ID: 505902
• Molecular Formular: C20H17FN4
• Molecular Mass: 332.3741832
• Monoisotopic Mass: 332.14372478
• SMILES: n1(c(ncc1)c1ccc(cc1)F)C(Cn1nccc1)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)c1nccn1C(c1ccccc1)Cn1cccn1
• InChI: InChI=1S/C20H17FN4/c21-18-9-7-17(8-10-18)20-22-12-14-25(20)19(15-24-13-4-11-23-24)16-5-2-1-3-6-16/h1-14,19H,15H2
• InChIKey: WXBBBXNBLZULGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-[1-phenyl-2-(1H-pyrazol-1-yl)ethyl]-1H-imidazole
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-[1-phenyl-2-(pyrazol-1-yl)ethyl]imidazole
• Synonyms: 1-{2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-2-phenylethyl}-1H-pyrazole

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6842623
• LogD (pH = 7.4): 4.2400393
• Log P: 4.259745
• Molar Refractivity: 116.5027 cm^3
• Polarizability: 36.572525 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 0
• Log P: 3.87
• LOG S: -4.93