(5-{1-[2-methoxy-2-(thiophen-2-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol

• ChemBase ID: 504616
• Molecular Formular: C21H20N2O3S
• Molecular Mass: 380.4601
• Monoisotopic Mass: 380.11946351
• SMILES: c1(n(cnc1c1ccccc1)CC(c1sccc1)OC)c1oc(cc1)CO
• Canonical SMILES: COC(c1cccs1)Cn1cnc(c1c1ccc(o1)CO)c1ccccc1
• InChI: InChI=1S/C21H20N2O3S/c1-25-18(19-8-5-11-27-19)12-23-14-22-20(15-6-3-2-4-7-15)21(23)17-10-9-16(13-24)26-17/h2-11,14,18,24H,12-13H2,1H3
• InChIKey: UMVDNWGNIAYMOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[2-methoxy-2-(thiophen-2-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{3-[2-methoxy-2-(thiophen-2-yl)ethyl]-5-phenylimidazol-4-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[2-methoxy-2-(2-thienyl)ethyl]-4-phenyl-1H-imidazol-5-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7436695
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4953089
• LogD (pH = 7.4): 3.541174
• Log P: 3.541798
• Molar Refractivity: 104.9879 cm^3
• Polarizability: 42.753822 Å^3
• Polar Surface Area: 60.42 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: 3.13
• LOG S: -4.64
• Polar Surface Area: 60.42 Å^2
• Rotatable Bonds: 7