2-(4-methoxy-2,5-dimethylphenyl)-1-(2,2,2-trifluoroethyl)-1H-imidazole

• ChemBase ID: 384082
• Molecular Formular: C14H15F3N2O
• Molecular Mass: 284.2769096
• Monoisotopic Mass: 284.11364777
• SMILES: c1(n(CC(F)(F)F)ccn1)c1cc(c(cc1C)OC)C
• Canonical SMILES: COc1cc(C)c(cc1C)c1nccn1CC(F)(F)F
• InChI: InChI=1S/C14H15F3N2O/c1-9-7-12(20-3)10(2)6-11(9)13-18-4-5-19(13)8-14(15,16)17/h4-7H,8H2,1-3H3
• InChIKey: ZQBAOYZXMHRLCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxy-2,5-dimethylphenyl)-1-(2,2,2-trifluoroethyl)-1H-imidazole
• IUPAC Traditional name: 2-(4-methoxy-2,5-dimethylphenyl)-1-(2,2,2-trifluoroethyl)imidazole
• Synonyms: 2-(4-methoxy-2,5-dimethylphenyl)-1-(2,2,2-trifluoroethyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3262901
• LogD (pH = 7.4): 3.905581
• Log P: 3.9274898
• Molar Refractivity: 81.0068 cm^3
• Polarizability: 26.271282 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: 3.89
• LOG S: -4.6
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 4