3-{[1-(5-cyclopropyl-4-phenyl-1H-imidazol-1-yl)propan-2-yl]oxy}pyridine

• ChemBase ID: 363639
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: n1(c(c(nc1)c1ccccc1)C1CC1)CC(Oc1cnccc1)C
• Canonical SMILES: CC(Cn1cnc(c1C1CC1)c1ccccc1)Oc1cccnc1
• InChI: InChI=1S/C20H21N3O/c1-15(24-18-8-5-11-21-12-18)13-23-14-22-19(20(23)17-9-10-17)16-6-3-2-4-7-16/h2-8,11-12,14-15,17H,9-10,13H2,1H3
• InChIKey: BWJLEPACNJCEPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[1-(5-cyclopropyl-4-phenyl-1H-imidazol-1-yl)propan-2-yl]oxy}pyridine
• IUPAC Traditional name: 3-{[1-(5-cyclopropyl-4-phenylimidazol-1-yl)propan-2-yl]oxy}pyridine
• Synonyms: 3-[2-(5-cyclopropyl-4-phenyl-1H-imidazol-1-yl)-1-methylethoxy]pyridine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9525821
• LogD (pH = 7.4): 3.558288
• Log P: 3.5778103
• Molar Refractivity: 93.8309 cm^3
• Polarizability: 37.666237 Å^3
• Polar Surface Area: 39.94 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0
• Log P: 3.58
• LOG S: -4.58
• Polar Surface Area: 39.94 Å^2