1-ethyl-2-{[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-1H-imidazole

• ChemBase ID: 618551
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C2)Cc1n(ccn1)CC
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)Cc1nccn1CC
• InChI: InChI=1S/C19H23N5O/c1-3-24-11-9-20-18(24)13-23-10-8-16-17(12-23)22-19(21-16)14-4-6-15(25-2)7-5-14/h4-7,9,11H,3,8,10,12-13H2,1-2H3,(H,21,22)
• InChIKey: WUSDXQXQSHMXFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-{[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-1H-imidazole
• IUPAC Traditional name: 1-ethyl-2-{[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}imidazole
• Synonyms: 5-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.323996
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.35249856
• LogD (pH = 7.4): 1.6596214
• Log P: 1.7355852
• Molar Refractivity: 108.4353 cm^3
• Polarizability: 38.01492 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.37
• LOG S: -2.68
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 5