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

• ChemBase ID: 309797
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1(c(ncc1)CCl)C1CC1
• Canonical SMILES: ClCc1nccn1C1CC1
• InChI: InChI=1S/C7H9ClN2/c8-5-7-9-3-4-10(7)6-1-2-6/h3-4,6H,1-2,5H2
• InChIKey: ANJXBGXXEXFNCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22370142

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.68708247
• LogD (pH = 7.4): 1.1888846
• Log P: 1.204425
• Molar Refractivity: 40.3146 cm^3
• Polarizability: 15.540875 Å^3
• Polar Surface Area: 17.82 Å^2