2-{1-[2,2,2-trifluoro-1-(pyridin-2-yl)ethyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 662699
• Molecular Formular: C15H11F3N4
• Molecular Mass: 304.2698496
• Monoisotopic Mass: 304.09358103
• SMILES: n1(c(ncc1)c1ncccc1)C(C(F)(F)F)c1ncccc1
• Canonical SMILES: FC(C(n1ccnc1c1ccccn1)c1ccccn1)(F)F
• InChI: InChI=1S/C15H11F3N4/c16-15(17,18)13(11-5-1-3-7-19-11)22-10-9-21-14(22)12-6-2-4-8-20-12/h1-10,13H
• InChIKey: IGPIOZRGFKUMOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[2,2,2-trifluoro-1-(pyridin-2-yl)ethyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 2-{1-[2,2,2-trifluoro-1-(pyridin-2-yl)ethyl]imidazol-2-yl}pyridine
• Synonyms: 2-[1-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1H-imidazol-2-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0206063
• LogD (pH = 7.4): 3.0266478
• Log P: 3.026725
• Molar Refractivity: 83.6111 cm^3
• Polarizability: 28.015251 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.97
• LOG S: -1.8
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4