2-(3-ethoxy-4-methoxyphenyl)-1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-imidazole

• ChemBase ID: 513118
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: n1c(cn2c1cccc2)Cn1c(ncc1)c1cc(c(cc1)OC)OCC
• Canonical SMILES: CCOc1cc(ccc1OC)c1nccn1Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H20N4O2/c1-3-26-18-12-15(7-8-17(18)25-2)20-21-9-11-24(20)14-16-13-23-10-5-4-6-19(23)22-16/h4-13H,3,14H2,1-2H3
• InChIKey: KZIMHTLIKMNMPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-ethoxy-4-methoxyphenyl)-1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-imidazole
• IUPAC Traditional name: 2-(3-ethoxy-4-methoxyphenyl)-1-{imidazo[1,2-a]pyridin-2-ylmethyl}imidazole
• Synonyms: 2-{[2-(3-ethoxy-4-methoxyphenyl)-1H-imidazol-1-yl]methyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6029828
• LogD (pH = 7.4): 2.701124
• Log P: 2.736936
• Molar Refractivity: 110.6549 cm^3
• Polarizability: 38.597324 Å^3
• Polar Surface Area: 53.58 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: 3.18
• LOG S: -4.46
• Polar Surface Area: 53.58 Å^2
• Rotatable Bonds: 6