4-{1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 318919
• Molecular Formular: C15H10F3N3
• Molecular Mass: 289.2552096
• Monoisotopic Mass: 289.082682
• SMILES: n1(c(ncc1)c1ccncc1)c1ccc(C(F)(F)F)cc1
• Canonical SMILES: FC(c1ccc(cc1)n1ccnc1c1ccncc1)(F)F
• InChI: InChI=1S/C15H10F3N3/c16-15(17,18)12-1-3-13(4-2-12)21-10-9-20-14(21)11-5-7-19-8-6-11/h1-10H
• InChIKey: PFIRFDBEZTYLPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 4-{1-[4-(trifluoromethyl)phenyl]imidazol-2-yl}pyridine
• Synonyms: 4-{1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0180757
• LogD (pH = 7.4): 3.4121063
• Log P: 3.4213567
• Molar Refractivity: 92.9248 cm^3
• Polarizability: 27.731447 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.73
• LOG S: -4.5
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3