1-methyl-5-(2-phenylphenyl)-1H-imidazole

• ChemBase ID: 334233
• Molecular Formular: C16H14N2
• Molecular Mass: 234.29576
• Monoisotopic Mass: 234.11569846
• SMILES: c1(c2c(c3ccccc3)cccc2)n(cnc1)C
• Canonical SMILES: Cn1cncc1c1ccccc1c1ccccc1
• InChI: InChI=1S/C16H14N2/c1-18-12-17-11-16(18)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3
• InChIKey: ODAZCTHLTVPXJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-(2-phenylphenyl)-1H-imidazole
• IUPAC Traditional name: 1-methyl-5-(2-phenylphenyl)imidazole
• Synonyms: 5-biphenyl-2-yl-1-methyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8220868
• LogD (pH = 7.4): 3.2618272
• Log P: 3.2929037
• Molar Refractivity: 74.0594 cm^3
• Polarizability: 31.043161 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.37
• LOG S: -3.79
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2