2-{2-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]ethyl}pyridine

• ChemBase ID: 457741
• Molecular Formular: C18H19N3O2
• Molecular Mass: 309.36236
• Monoisotopic Mass: 309.14772686
• SMILES: c1(c2c(cc(cc2)OC)OC)n(ccn1)CCc1ncccc1
• Canonical SMILES: COc1cc(OC)ccc1c1nccn1CCc1ccccn1
• InChI: InChI=1S/C18H19N3O2/c1-22-15-6-7-16(17(13-15)23-2)18-20-10-12-21(18)11-8-14-5-3-4-9-19-14/h3-7,9-10,12-13H,8,11H2,1-2H3
• InChIKey: DUCBCKBRPPNDMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]ethyl}pyridine
• IUPAC Traditional name: 2-{2-[2-(2,4-dimethoxyphenyl)imidazol-1-yl]ethyl}pyridine
• Synonyms: 2-{2-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]ethyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9125152
• LogD (pH = 7.4): 2.5967247
• Log P: 2.613165
• Molar Refractivity: 98.5704 cm^3
• Polarizability: 34.66754 Å^3
• Polar Surface Area: 49.17 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: 1.98
• LOG S: -1.85
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6