2-(2-methoxyphenyl)-1-[4-(1H-pyrazol-5-yl)phenyl]-1H-imidazole

• ChemBase ID: 856944
• Molecular Formular: C19H16N4O
• Molecular Mass: 316.35654
• Monoisotopic Mass: 316.13241115
• SMILES: c1(n(c2ccc(c3[nH]ncc3)cc2)ccn1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nccn1c1ccc(cc1)c1[nH]ncc1
• InChI: InChI=1S/C19H16N4O/c1-24-18-5-3-2-4-16(18)19-20-12-13-23(19)15-8-6-14(7-9-15)17-10-11-21-22-17/h2-13H,1H3,(H,21,22)
• InChIKey: JZUYLMLMFIPWBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-1-[4-(1H-pyrazol-5-yl)phenyl]-1H-imidazole
• IUPAC Traditional name: 2-(2-methoxyphenyl)-1-[4-(2H-pyrazol-3-yl)phenyl]imidazole
• Synonyms: 5-{4-[2-(2-methoxyphenyl)-1H-imidazol-1-yl]phenyl}-1H-pyrazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.446303
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1934326
• LogD (pH = 7.4): 3.4695158
• Log P: 3.4749198
• Molar Refractivity: 114.2723 cm^3
• Polarizability: 38.036045 Å^3
• Polar Surface Area: 55.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.16
• LOG S: -5.06
• Polar Surface Area: 55.73 Å^2
• Rotatable Bonds: 4