3-({1-[2-(2,3-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]propan-2-yl}oxy)pyridine

• ChemBase ID: 399117
• Molecular Formular: C18H17F2N3O2
• Molecular Mass: 345.3432864
• Monoisotopic Mass: 345.12888324
• SMILES: c1(c2c(c(c(cc2)OC)F)F)n(ccn1)CC(Oc1cnccc1)C
• Canonical SMILES: COc1ccc(c(c1F)F)c1nccn1CC(Oc1cccnc1)C
• InChI: InChI=1S/C18H17F2N3O2/c1-12(25-13-4-3-7-21-10-13)11-23-9-8-22-18(23)14-5-6-15(24-2)17(20)16(14)19/h3-10,12H,11H2,1-2H3
• InChIKey: YBAYFSGSZPWPBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({1-[2-(2,3-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]propan-2-yl}oxy)pyridine
• IUPAC Traditional name: 3-({1-[2-(2,3-difluoro-4-methoxyphenyl)imidazol-1-yl]propan-2-yl}oxy)pyridine
• Synonyms: 3-{2-[2-(2,3-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-1-methylethoxy}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.632255
• LogD (pH = 7.4): 3.064525
• Log P: 3.073907
• Molar Refractivity: 98.7212 cm^3
• Polarizability: 34.109554 Å^3
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.66
• LOG S: -3.99
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6