2-(furan-2-yl)-1H-imidazole

• ChemBase ID: 796810
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: [nH]1c(ncc1)c1occc1
• Canonical SMILES: c1coc(c1)c1ncc[nH]1
• InChI: InChI=1S/C7H6N2O/c1-2-6(10-5-1)7-8-3-4-9-7/h1-5H,(H,8,9)
• InChIKey: UJZPJVGOWHZIKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-1H-imidazole
• IUPAC Traditional name: 2-(furan-2-yl)-1H-imidazole
• Synonyms: 2-(Furan-2-yl)-1H-iMidazole; 2-(2-furanyl)-1h-imidazole

Database IDs

• CAS Number: 89795-49-3

CALCULATED PROPERTIES

• Acid pKa: 11.198423
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.81614006
• LogD (pH = 7.4): 0.93787366
• Log P: 0.9397927
• Molar Refractivity: 46.5053 cm^3
• Polarizability: 14.283313 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%