{2-ethoxy-5-[1-(oxolan-2-ylmethyl)-4-phenyl-1H-imidazol-5-yl]phenyl}methanol

• ChemBase ID: 680712
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: n1(c(c(nc1)c1ccccc1)c1cc(c(cc1)OCC)CO)CC1OCCC1
• Canonical SMILES: CCOc1ccc(cc1CO)c1n(cnc1c1ccccc1)CC1CCCO1
• InChI: InChI=1S/C23H26N2O3/c1-2-27-21-11-10-18(13-19(21)15-26)23-22(17-7-4-3-5-8-17)24-16-25(23)14-20-9-6-12-28-20/h3-5,7-8,10-11,13,16,20,26H,2,6,9,12,14-15H2,1H3
• InChIKey: QJPCKIWLNHLHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-ethoxy-5-[1-(oxolan-2-ylmethyl)-4-phenyl-1H-imidazol-5-yl]phenyl}methanol
• IUPAC Traditional name: {2-ethoxy-5-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl}methanol
• Synonyms: {2-ethoxy-5-[4-phenyl-1-(tetrahydrofuran-2-ylmethyl)-1H-imidazol-5-yl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.615334
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2766
• LogD (pH = 7.4): 3.524493
• Log P: 3.52913
• Molar Refractivity: 109.9698 cm^3
• Polarizability: 44.990723 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.34
• LOG S: -4.81
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 7