2-[2-(9H-fluoren-2-yl)-1H-imidazol-1-yl]ethan-1-ol

• ChemBase ID: 853877
• Molecular Formular: C18H16N2O
• Molecular Mass: 276.33244
• Monoisotopic Mass: 276.12626314
• SMILES: c1(n(ccn1)CCO)c1cc2c(c3c(C2)cccc3)cc1
• Canonical SMILES: OCCn1ccnc1c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C18H16N2O/c21-10-9-20-8-7-19-18(20)14-5-6-17-15(12-14)11-13-3-1-2-4-16(13)17/h1-8,12,21H,9-11H2
• InChIKey: YECVHEGZDCSWOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(9H-fluoren-2-yl)-1H-imidazol-1-yl]ethan-1-ol
• IUPAC Traditional name: 2-[2-(9H-fluoren-2-yl)imidazol-1-yl]ethanol
• Synonyms: 2-[2-(9H-fluoren-2-yl)-1H-imidazol-1-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.380409
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5927181
• LogD (pH = 7.4): 3.158296
• Log P: 3.1788936
• Molar Refractivity: 94.1188 cm^3
• Polarizability: 33.69597 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.95
• LOG S: -4.84
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3