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

• ChemBase ID: 240133
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c1(n(ccn1)C)c1occc1
• Canonical SMILES: Cn1ccnc1c1ccco1
• InChI: InChI=1S/C8H8N2O/c1-10-5-4-9-8(10)7-3-2-6-11-7/h2-6H,1H3
• InChIKey: UGOAQQHDZUUWCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-1-methyl-1H-imidazole
• IUPAC Traditional name: 2-(furan-2-yl)-1-methylimidazole
• Synonyms: 2-(furan-2-yl)-1-methyl-1H-imidazole

Database IDs

• MDL Number: MFCD16300828
• PubChem SID: 164296043
• PubChem CID: 14469457

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0685427
• LogD (pH = 7.4): 1.1621048
• Log P: 1.1634687
• Molar Refractivity: 51.402 cm^3
• Polarizability: 16.043758 Å^3
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.471

Product Information

• Purity: 95%