2-(3,5-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-1-yl)ethyl]-1H-imidazole

• ChemBase ID: 418232
• Molecular Formular: C15H14F2N4O
• Molecular Mass: 304.2946664
• Monoisotopic Mass: 304.11356753
• SMILES: c1(c2cc(c(c(c2)F)OC)F)n(ccn1)CCn1cncc1
• Canonical SMILES: COc1c(F)cc(cc1F)c1nccn1CCn1cncc1
• InChI: InChI=1S/C15H14F2N4O/c1-22-14-12(16)8-11(9-13(14)17)15-19-3-5-21(15)7-6-20-4-2-18-10-20/h2-5,8-10H,6-7H2,1H3
• InChIKey: BHKZIAJSEALUJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-1-yl)ethyl]-1H-imidazole
• IUPAC Traditional name: 2-(3,5-difluoro-4-methoxyphenyl)-1-[2-(imidazol-1-yl)ethyl]imidazole
• Synonyms: 2-(3,5-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-1-yl)ethyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0511547
• LogD (pH = 7.4): 2.0526495
• Log P: 2.1378815
• Molar Refractivity: 87.8476 cm^3
• Polarizability: 29.246689 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.99
• LOG S: -3.12
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 5