1-(2-methoxy-2-methylpropyl)-2-(2-methylphenyl)-1H-imidazole

• ChemBase ID: 477781
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: c1(n(CC(OC)(C)C)ccn1)c1c(C)cccc1
• Canonical SMILES: COC(Cn1ccnc1c1ccccc1C)(C)C
• InChI: InChI=1S/C15H20N2O/c1-12-7-5-6-8-13(12)14-16-9-10-17(14)11-15(2,3)18-4/h5-10H,11H2,1-4H3
• InChIKey: WBHBZHCARDWQED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6754427
• LogD (pH = 7.4): 3.2457776
• Log P: 3.2668197
• Molar Refractivity: 84.1528 cm^3
• Polarizability: 29.013586 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.67
• LOG S: -3.26
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 4