2-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]-1-(pyridin-3-yl)ethan-1-ol

• ChemBase ID: 504433
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c1(c2c(c(OC)ccc2)OC)n(CC(c2cnccc2)O)ccn1
• Canonical SMILES: COc1c(OC)cccc1c1nccn1CC(c1cccnc1)O
• InChI: InChI=1S/C18H19N3O3/c1-23-16-7-3-6-14(17(16)24-2)18-20-9-10-21(18)12-15(22)13-5-4-8-19-11-13/h3-11,15,22H,12H2,1-2H3
• InChIKey: PTDJJMOEQRHINF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]-1-(pyridin-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]-1-(pyridin-3-yl)ethanol
• Synonyms: 2-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]-1-pyridin-3-ylethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.763333
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2014679
• LogD (pH = 7.4): 1.6538182
• Log P: 1.6643454
• Molar Refractivity: 100.3557 cm^3
• Polarizability: 35.358826 Å^3
• Polar Surface Area: 69.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.15
• LOG S: -1.25
• Polar Surface Area: 69.4 Å^2
• Rotatable Bonds: 6