(2-ethoxy-5-{1-[2-(pyrazin-2-yl)ethyl]-1H-imidazol-2-yl}phenyl)methanol

• ChemBase ID: 480738
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(n(ccn1)CCc1nccnc1)c1cc(c(cc1)OCC)CO
• Canonical SMILES: CCOc1ccc(cc1CO)c1nccn1CCc1cnccn1
• InChI: InChI=1S/C18H20N4O2/c1-2-24-17-4-3-14(11-15(17)13-23)18-21-8-10-22(18)9-5-16-12-19-6-7-20-16/h3-4,6-8,10-12,23H,2,5,9,13H2,1H3
• InChIKey: SCAWDCILMNUBQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxy-5-{1-[2-(pyrazin-2-yl)ethyl]-1H-imidazol-2-yl}phenyl)methanol
• IUPAC Traditional name: (2-ethoxy-5-{1-[2-(pyrazin-2-yl)ethyl]imidazol-2-yl}phenyl)methanol
• Synonyms: {2-ethoxy-5-[1-(2-pyrazin-2-ylethyl)-1H-imidazol-2-yl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.572432
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.52017003
• LogD (pH = 7.4): 1.1187049
• Log P: 1.1426219
• Molar Refractivity: 101.5148 cm^3
• Polarizability: 35.543377 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.71
• LOG S: -2.17
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 7