2,6-dimethyl-4-(4-phenyl-1H-imidazol-5-yl)phenol

• ChemBase ID: 827165
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: c1(c(nc[nH]1)c1ccccc1)c1cc(c(c(c1)C)O)C
• Canonical SMILES: Oc1c(C)cc(cc1C)c1[nH]cnc1c1ccccc1
• InChI: InChI=1S/C17H16N2O/c1-11-8-14(9-12(2)17(11)20)16-15(18-10-19-16)13-6-4-3-5-7-13/h3-10,20H,1-2H3,(H,18,19)
• InChIKey: ALTZAPCTXONPNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(4-phenyl-1H-imidazol-5-yl)phenol
• IUPAC Traditional name: 2,6-dimethyl-4-(5-phenyl-3H-imidazol-4-yl)phenol
• Synonyms: 2,6-dimethyl-4-(4-phenyl-1H-imidazol-5-yl)phenol

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 2
• Log P: 4.92
• LOG S: -4.75

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 10.560945
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.8446362
• LogD (pH = 7.4): 4.1710086
• Log P: 4.178355
• Molar Refractivity: 80.854 cm^3
• Polarizability: 33.31241 Å^3
• Polar Surface Area: 48.91 Å^2