2-ethoxy-5-[4-phenyl-1-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]pyridine

• ChemBase ID: 503386
• Molecular Formular: C22H20N4O
• Molecular Mass: 356.4204
• Monoisotopic Mass: 356.16371128
• SMILES: n1(c(c(nc1)c1ccccc1)c1cnc(cc1)OCC)Cc1cnccc1
• Canonical SMILES: CCOc1ccc(cn1)c1n(cnc1c1ccccc1)Cc1cccnc1
• InChI: InChI=1S/C22H20N4O/c1-2-27-20-11-10-19(14-24-20)22-21(18-8-4-3-5-9-18)25-16-26(22)15-17-7-6-12-23-13-17/h3-14,16H,2,15H2,1H3
• InChIKey: PEPOWSVZJISBMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-[4-phenyl-1-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]pyridine
• IUPAC Traditional name: 2-ethoxy-5-[5-phenyl-3-(pyridin-3-ylmethyl)imidazol-4-yl]pyridine
• Synonyms: 2-ethoxy-5-[4-phenyl-1-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4071727
• LogD (pH = 7.4): 3.755678
• Log P: 3.7614765
• Molar Refractivity: 105.5115 cm^3
• Polarizability: 43.059452 Å^3
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.64
• LOG S: -4.46
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 6