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

• ChemBase ID: 74752
• Molecular Formular: C5H6Br2N2
• Molecular Mass: 253.92254
• Monoisotopic Mass: 251.8897722
• SMILES: n1(c(nc(c1Br)Br)C)C
• Canonical SMILES: Cc1nc(c(n1C)Br)Br
• InChI: InChI=1S/C5H6Br2N2/c1-3-8-4(6)5(7)9(3)2/h1-2H3
• InChIKey: IRPMMLNFWNJAMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 16954-05-5
• MDL Number: MFCD02179518
• PubChem SID: 162039670
• PubChem CID: 303178

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.622186
• LogD (pH = 7.4): 1.6446055
• Log P: 1.6448994
• Molar Refractivity: 44.22 cm^3
• Polarizability: 16.844292 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%