1-[2-(4-bromophenoxy)ethyl]-1H-imidazole

• ChemBase ID: 310794
• Molecular Formular: C11H11BrN2O
• Molecular Mass: 267.12184
• Monoisotopic Mass: 266.00547498
• SMILES: n1cn(cc1)CCOc1ccc(Br)cc1
• Canonical SMILES: Brc1ccc(cc1)OCCn1cncc1
• InChI: InChI=1S/C11H11BrN2O/c12-10-1-3-11(4-2-10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2
• InChIKey: ZVSKOSCGJSFYKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-bromophenoxy)ethyl]-1H-imidazole
• IUPAC Traditional name: 1-[2-(4-bromophenoxy)ethyl]imidazole
• Synonyms: 1-[2-(4-bromophenoxy)ethyl]-1H-imidazole

Database IDs

• CAS Number: 250600-43-2
• MDL Number: MFCD01308498

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9604722
• LogD (pH = 7.4): 2.4249165
• Log P: 2.491254
• Molar Refractivity: 62.0845 cm^3
• Polarizability: 23.805668 Å^3
• Polar Surface Area: 27.05 Å^2