3-({1-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]propan-2-yl}oxy)pyridine

• ChemBase ID: 572125
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(c2c(c(OC)ccc2)OC)n(ccn1)CC(Oc1cnccc1)C
• Canonical SMILES: COc1c(OC)cccc1c1nccn1CC(Oc1cccnc1)C
• InChI: InChI=1S/C19H21N3O3/c1-14(25-15-6-5-9-20-12-15)13-22-11-10-21-19(22)16-7-4-8-17(23-2)18(16)24-3/h4-12,14H,13H2,1-3H3
• InChIKey: WSXXAPPLRIDGBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({1-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]propan-2-yl}oxy)pyridine
• IUPAC Traditional name: 3-({1-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]propan-2-yl}oxy)pyridine
• Synonyms: 3-{2-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]-1-methylethoxy}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1552155
• LogD (pH = 7.4): 2.6200793
• Log P: 2.6308317
• Molar Refractivity: 104.7516 cm^3
• Polarizability: 37.264427 Å^3
• Polar Surface Area: 58.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.51
• LOG S: -3.82
• Polar Surface Area: 58.4 Å^2
• Rotatable Bonds: 7