3-{4-phenyl-1-[3-(pyridin-3-yl)propyl]-1H-imidazol-5-yl}pyridine

• ChemBase ID: 565614
• Molecular Formular: C22H20N4
• Molecular Mass: 340.421
• Monoisotopic Mass: 340.16879666
• SMILES: n1c(c(n(c1)CCCc1cnccc1)c1cnccc1)c1ccccc1
• Canonical SMILES: c1ccc(cn1)c1n(CCCc2cccnc2)cnc1c1ccccc1
• InChI: InChI=1S/C22H20N4/c1-2-9-19(10-3-1)21-22(20-11-5-13-24-16-20)26(17-25-21)14-6-8-18-7-4-12-23-15-18/h1-5,7,9-13,15-17H,6,8,14H2
• InChIKey: QEWOPKYUPDBKFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-phenyl-1-[3-(pyridin-3-yl)propyl]-1H-imidazol-5-yl}pyridine
• IUPAC Traditional name: 3-{5-phenyl-3-[3-(pyridin-3-yl)propyl]imidazol-4-yl}pyridine
• Synonyms: 3-[3-(4-phenyl-5-pyridin-3-yl-1H-imidazol-1-yl)propyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2121954
• LogD (pH = 7.4): 3.6921966
• Log P: 3.7011123
• Molar Refractivity: 103.3422 cm^3
• Polarizability: 42.364655 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.57
• LOG S: -4.29
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 6