4-(2,6-dimethoxyphenyl)-2-methyl-1H-imidazole

• ChemBase ID: 829640
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: c1(nc([nH]c1)C)c1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1c1c[nH]c(n1)C)OC
• InChI: InChI=1S/C12H14N2O2/c1-8-13-7-9(14-8)12-10(15-2)5-4-6-11(12)16-3/h4-7H,1-3H3,(H,13,14)
• InChIKey: UUQMFYWQHXMQOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethoxyphenyl)-2-methyl-1H-imidazole
• IUPAC Traditional name: 4-(2,6-dimethoxyphenyl)-2-methyl-1H-imidazole
• Synonyms: 4-(2,6-dimethoxyphenyl)-2-methyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.348295
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8945895
• LogD (pH = 7.4): 1.6623819
• Log P: 1.6955737
• Molar Refractivity: 61.1441 cm^3
• Polarizability: 24.90313 Å^3
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.3
• LOG S: -1.9
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 3