2-(chloromethyl)-1-(methoxymethyl)-1H-imidazole

• ChemBase ID: 309775
• Molecular Formular: C6H9ClN2O
• Molecular Mass: 160.60146
• Monoisotopic Mass: 160.0403406
• SMILES: n1(c(ncc1)CCl)COC
• Canonical SMILES: COCn1ccnc1CCl
• InChI: InChI=1S/C6H9ClN2O/c1-10-5-9-3-2-8-6(9)4-7/h2-3H,4-5H2,1H3
• InChIKey: LXNADAONQNOPRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19235340

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3878073
• LogD (pH = 7.4): 0.7919026
• Log P: 0.80198586
• Molar Refractivity: 38.9564 cm^3
• Polarizability: 15.237388 Å^3
• Polar Surface Area: 27.05 Å^2