1-benzyl-5-bromo-1H-imidazole

• ChemBase ID: 293254
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: Brc1cncn1Cc1ccccc1
• Canonical SMILES: Brc1cncn1Cc1ccccc1
• InChI: InChI=1S/C10H9BrN2/c11-10-6-12-8-13(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
• InChIKey: BTRXUOMSVCJYPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-bromo-1H-imidazole
• IUPAC Traditional name: 1-benzyl-5-bromoimidazole
• Synonyms: 1-Benzyl-5-bromo-1H-imidazole

Database IDs

• CAS Number: 132430-59-2
• MDL Number: MFCD19688638
• PubChem SID: 180678785
• PubChem CID: 14782915

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.010064
• LogD (pH = 7.4): 2.2657683
• Log P: 2.272033
• Molar Refractivity: 55.9269 cm^3
• Polarizability: 21.29668 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%