1-[5-(4-ethylphenyl)-4-phenyl-1H-imidazol-1-yl]-3-methoxypropan-2-ol

• ChemBase ID: 739159
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: n1(c(c(nc1)c1ccccc1)c1ccc(cc1)CC)CC(O)COC
• Canonical SMILES: COCC(Cn1cnc(c1c1ccc(cc1)CC)c1ccccc1)O
• InChI: InChI=1S/C21H24N2O2/c1-3-16-9-11-18(12-10-16)21-20(17-7-5-4-6-8-17)22-15-23(21)13-19(24)14-25-2/h4-12,15,19,24H,3,13-14H2,1-2H3
• InChIKey: WIOVBJFMVLGSTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(4-ethylphenyl)-4-phenyl-1H-imidazol-1-yl]-3-methoxypropan-2-ol
• IUPAC Traditional name: 1-[5-(4-ethylphenyl)-4-phenylimidazol-1-yl]-3-methoxypropan-2-ol
• Synonyms: 1-[5-(4-ethylphenyl)-4-phenyl-1H-imidazol-1-yl]-3-methoxypropan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.000472
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7102647
• LogD (pH = 7.4): 3.9548836
• Log P: 3.9594336
• Molar Refractivity: 100.3356 cm^3
• Polarizability: 41.33726 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.58
• LOG S: -4.71
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 7