4-{3-[2-(2,3-difluorophenyl)-1H-imidazol-1-yl]propyl}pyridine

• ChemBase ID: 479250
• Molecular Formular: C17H15F2N3
• Molecular Mass: 299.3179064
• Monoisotopic Mass: 299.12340394
• SMILES: c1(c2c(c(F)ccc2)F)n(ccn1)CCCc1ccncc1
• Canonical SMILES: Fc1c(F)cccc1c1nccn1CCCc1ccncc1
• InChI: InChI=1S/C17H15F2N3/c18-15-5-1-4-14(16(15)19)17-21-10-12-22(17)11-2-3-13-6-8-20-9-7-13/h1,4-10,12H,2-3,11H2
• InChIKey: VIOXEGWCEUQWDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[2-(2,3-difluorophenyl)-1H-imidazol-1-yl]propyl}pyridine
• IUPAC Traditional name: 4-{3-[2-(2,3-difluorophenyl)imidazol-1-yl]propyl}pyridine
• Synonyms: 4-{3-[2-(2,3-difluorophenyl)-1H-imidazol-1-yl]propyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9189353
• LogD (pH = 7.4): 3.6129286
• Log P: 3.6286566
• Molar Refractivity: 91.2556 cm^3
• Polarizability: 30.787388 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.42
• LOG S: -2.15
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 5