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

• ChemBase ID: 75899
• Molecular Formular: C5H6Br2N2
• Molecular Mass: 253.92254
• Monoisotopic Mass: 251.8897722
• SMILES: n1(c(nc(c1C)Br)Br)C
• Canonical SMILES: Brc1nc(c(n1C)C)Br
• InChI: InChI=1S/C5H6Br2N2/c1-3-4(6)8-5(7)9(3)2/h1-2H3
• InChIKey: LXOXPLOMFHDMMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 850429-57-1
• MDL Number: MFCD06659899
• PubChem SID: 162040817
• PubChem CID: 7204873

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.314406
• LogD (pH = 7.4): 2.3163304
• Log P: 2.316355
• Molar Refractivity: 45.149 cm^3
• Polarizability: 16.886042 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-122°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 98%