5-(chloromethyl)-1-(2-methoxyethyl)-1H-imidazole

• ChemBase ID: 307516
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: n1(c(cnc1)CCl)CCOC
• Canonical SMILES: COCCn1cncc1CCl
• InChI: InChI=1S/C7H11ClN2O/c1-11-3-2-10-6-9-5-7(10)4-8/h5-6H,2-4H2,1H3
• InChIKey: QGQNYLVWOFTRND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-1-(2-methoxyethyl)-1H-imidazole
• IUPAC Traditional name: 5-(chloromethyl)-1-(2-methoxyethyl)imidazole
• Synonyms: 5-(chloromethyl)-1-(2-methoxyethyl)-1H-imidazole

Database IDs

• CAS Number: 754973-68-7
• MDL Number: MFCD08060040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.06692657
• LogD (pH = 7.4): 0.5073341
• Log P: 0.53871953
• Molar Refractivity: 44.6974 cm^3
• Polarizability: 16.987307 Å^3
• Polar Surface Area: 27.05 Å^2