2-(furan-3-yl)-4,5-dihydro-1H-imidazole

• ChemBase ID: 78631
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: N1=C(c2cocc2)NCC1
• Canonical SMILES: C1CN=C(N1)c1cocc1
• InChI: InChI=1S/C7H8N2O/c1-4-10-5-6(1)7-8-2-3-9-7/h1,4-5H,2-3H2,(H,8,9)
• InChIKey: OUFQQOBXUHXSPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-3-yl)-4,5-dihydro-1H-imidazole
• IUPAC Traditional name: 2-(furan-3-yl)-4,5-dihydro-1H-imidazole
• Synonyms: 2-(3-furyl)-4,5-dihydro-1H-imidazole

Database IDs

• MDL Number: MFCD01565884
• PubChem SID: 162043394
• PubChem CID: 2774071

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3126829
• LogD (pH = 7.4): 0.13052681
• Log P: 0.36372033
• Molar Refractivity: 37.5313 cm^3
• Polarizability: 13.855286 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true