2-{2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}-1-phenylethan-1-ol

• ChemBase ID: 678612
• Molecular Formular: C21H18N2O2
• Molecular Mass: 330.37982
• Monoisotopic Mass: 330.13682783
• SMILES: c1(n(CC(c2ccccc2)O)ccn1)c1c(c2occc2)cccc1
• Canonical SMILES: OC(c1ccccc1)Cn1ccnc1c1ccccc1c1ccco1
• InChI: InChI=1S/C21H18N2O2/c24-19(16-7-2-1-3-8-16)15-23-13-12-22-21(23)18-10-5-4-9-17(18)20-11-6-14-25-20/h1-14,19,24H,15H2
• InChIKey: LRKSCUUQSGKLBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}-1-phenylethan-1-ol
• IUPAC Traditional name: 2-{2-[2-(furan-2-yl)phenyl]imidazol-1-yl}-1-phenylethanol
• Synonyms: 2-{2-[2-(2-furyl)phenyl]-1H-imidazol-1-yl}-1-phenylethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.018656
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4040043
• LogD (pH = 7.4): 3.8903122
• Log P: 3.9048324
• Molar Refractivity: 107.1133 cm^3
• Polarizability: 39.10227 Å^3
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.61
• LOG S: -4.69
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5