{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}[(4-methyl-1H-imidazol-2-yl)methyl]amine

• ChemBase ID: 481787
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1c([nH]cc1C)CNCc1c(Oc2c(OC)cccc2)nccc1
• Canonical SMILES: COc1ccccc1Oc1ncccc1CNCc1[nH]cc(n1)C
• InChI: InChI=1S/C18H20N4O2/c1-13-10-21-17(22-13)12-19-11-14-6-5-9-20-18(14)24-16-8-4-3-7-15(16)23-2/h3-10,19H,11-12H2,1-2H3,(H,21,22)
• InChIKey: REWFAUWGKSAQAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}[(4-methyl-1H-imidazol-2-yl)methyl]amine
• IUPAC Traditional name: {[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}[(4-methyl-1H-imidazol-2-yl)methyl]amine
• Synonyms: 1-[2-(2-methoxyphenoxy)-3-pyridinyl]-N-[(4-methyl-1H-imidazol-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.015455
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7889051
• LogD (pH = 7.4): 1.967892
• Log P: 2.0615354
• Molar Refractivity: 91.6525 cm^3
• Polarizability: 35.65639 Å^3
• Polar Surface Area: 72.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.94
• LOG S: -3.41
• Polar Surface Area: 72.06 Å^2
• Rotatable Bonds: 6