4-(4-methoxy-2-methylphenyl)-2-methyl-1H-imidazole

• ChemBase ID: 577316
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: c1(nc([nH]c1)C)c1c(cc(cc1)OC)C
• Canonical SMILES: COc1ccc(c(c1)C)c1c[nH]c(n1)C
• InChI: InChI=1S/C12H14N2O/c1-8-6-10(15-3)4-5-11(8)12-7-13-9(2)14-12/h4-7H,1-3H3,(H,13,14)
• InChIKey: GNOHHKXPVGGMAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-imidazole
• IUPAC Traditional name: 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-imidazole
• Synonyms: 4-(4-methoxy-2-methylphenyl)-2-methyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.358561
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4390478
• LogD (pH = 7.4): 2.317328
• Log P: 2.3666663
• Molar Refractivity: 59.7221 cm^3
• Polarizability: 24.166933 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.56
• LOG S: -2.86
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 2