4,5-diiodo-1,2-dimethyl-1H-imidazole

• ChemBase ID: 798504
• Molecular Formular: C5H6I2N2
• Molecular Mass: 347.92348
• Monoisotopic Mass: 347.8620442
• SMILES: n1(c(nc(c1I)I)C)C
• Canonical SMILES: Cc1nc(c(n1C)I)I
• InChI: InChI=1S/C5H6I2N2/c1-3-8-4(6)5(7)9(3)2/h1-2H3
• InChIKey: CWINQZIAZVITSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-diiodo-1,2-dimethyl-1H-imidazole
• IUPAC Traditional name: 4,5-diiodo-1,2-dimethylimidazole
• Synonyms: 4,5-diiodo-1,2-dimethyl-1h-imidazole

Database IDs

• CAS Number: 13369-82-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4068084
• LogD (pH = 7.4): 2.440542
• Log P: 2.4409912
• Molar Refractivity: 53.0822 cm^3
• Polarizability: 21.680773 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%