(5-{1-[2-methoxy-2-(thiophen-2-yl)ethyl]-1H-imidazol-2-yl}furan-2-yl)methanol

• ChemBase ID: 468849
• Molecular Formular: C15H16N2O3S
• Molecular Mass: 304.36414
• Monoisotopic Mass: 304.08816338
• SMILES: c1(n(CC(c2sccc2)OC)ccn1)c1oc(cc1)CO
• Canonical SMILES: COC(c1cccs1)Cn1ccnc1c1ccc(o1)CO
• InChI: InChI=1S/C15H16N2O3S/c1-19-13(14-3-2-8-21-14)9-17-7-6-16-15(17)12-5-4-11(10-18)20-12/h2-8,13,18H,9-10H2,1H3
• InChIKey: UCAFEVOQEDSOAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[2-methoxy-2-(thiophen-2-yl)ethyl]-1H-imidazol-2-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{1-[2-methoxy-2-(thiophen-2-yl)ethyl]imidazol-2-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[2-methoxy-2-(2-thienyl)ethyl]-1H-imidazol-2-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705644
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8820428
• LogD (pH = 7.4): 1.9650743
• Log P: 1.9662662
• Molar Refractivity: 90.3116 cm^3
• Polarizability: 31.148024 Å^3
• Polar Surface Area: 60.42 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: 0.92
• LOG S: -2.21
• Polar Surface Area: 60.42 Å^2
• Rotatable Bonds: 6