3,5-dichloro-4-[1-(2,6-dimethoxypyridin-3-yl)-1H-imidazol-2-yl]pyridine

• ChemBase ID: 562055
• Molecular Formular: C15H12Cl2N4O2
• Molecular Mass: 351.18738
• Monoisotopic Mass: 350.033731
• SMILES: c1(n(c2c(nc(cc2)OC)OC)ccn1)c1c(Cl)cncc1Cl
• Canonical SMILES: COc1nc(OC)ccc1n1ccnc1c1c(Cl)cncc1Cl
• InChI: InChI=1S/C15H12Cl2N4O2/c1-22-12-4-3-11(15(20-12)23-2)21-6-5-19-14(21)13-9(16)7-18-8-10(13)17/h3-8H,1-2H3
• InChIKey: MUKSXZDPIRLVGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-[1-(2,6-dimethoxypyridin-3-yl)-1H-imidazol-2-yl]pyridine
• IUPAC Traditional name: 3,5-dichloro-4-[1-(2,6-dimethoxypyridin-3-yl)imidazol-2-yl]pyridine
• Synonyms: 3-[2-(3,5-dichloropyridin-4-yl)-1H-imidazol-1-yl]-2,6-dimethoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2158945
• LogD (pH = 7.4): 3.404317
• Log P: 3.4074976
• Molar Refractivity: 107.9572 cm^3
• Polarizability: 34.770195 Å^3
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.6
• LOG S: -4.83
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 4