5-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 407554
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c12c([nH]cn1)CCN(C2)Cc1cc(c(cc1)OC)COCC
• Canonical SMILES: CCOCc1cc(ccc1OC)CN1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C17H23N3O2/c1-3-22-11-14-8-13(4-5-17(14)21-2)9-20-7-6-15-16(10-20)19-12-18-15/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H,18,19)
• InChIKey: TZDNBDVVJRRSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 5-{[3-(ethoxymethyl)-4-methoxyphenyl]methyl}-1H,4H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 5-[3-(ethoxymethyl)-4-methoxybenzyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.044271
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4747877
• LogD (pH = 7.4): 1.123365
• Log P: 1.4082191
• Molar Refractivity: 87.7223 cm^3
• Polarizability: 33.542755 Å^3
• Polar Surface Area: 50.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.3
• LOG S: -1.5
• Polar Surface Area: 50.38 Å^2
• Rotatable Bonds: 6