3-{1-[2-(2-fluorophenyl)ethyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 716049
• Molecular Formular: C16H14FN3
• Molecular Mass: 267.3008632
• Monoisotopic Mass: 267.11717568
• SMILES: c1(n(ccn1)CCc1c(F)cccc1)c1cnccc1
• Canonical SMILES: Fc1ccccc1CCn1ccnc1c1cccnc1
• InChI: InChI=1S/C16H14FN3/c17-15-6-2-1-4-13(15)7-10-20-11-9-19-16(20)14-5-3-8-18-12-14/h1-6,8-9,11-12H,7,10H2
• InChIKey: KUEXFSHKCPIVKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[2-(2-fluorophenyl)ethyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 3-{1-[2-(2-fluorophenyl)ethyl]imidazol-2-yl}pyridine
• Synonyms: 3-{1-[2-(2-fluorophenyl)ethyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.558818
• LogD (pH = 7.4): 3.0282116
• Log P: 3.041386
• Molar Refractivity: 86.4382 cm^3
• Polarizability: 29.281921 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.67
• LOG S: -3.43
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 4