5-(chloromethyl)-1-cyclopentyl-1H-imidazole

• ChemBase ID: 307507
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: n1(c(cnc1)CCl)C1CCCC1
• Canonical SMILES: ClCc1cncn1C1CCCC1
• InChI: InChI=1S/C9H13ClN2/c10-5-9-6-11-7-12(9)8-3-1-2-4-8/h6-8H,1-5H2
• InChIKey: VYUMKCJRMCEFJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-1-cyclopentyl-1H-imidazole
• IUPAC Traditional name: 5-(chloromethyl)-1-cyclopentylimidazole
• Synonyms: 5-(chloromethyl)-1-cyclopentyl-1H-imidazole

Database IDs

• MDL Number: MFCD08691605

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4709346
• LogD (pH = 7.4): 1.9097418
• Log P: 1.9403969
• Molar Refractivity: 50.0671 cm^3
• Polarizability: 19.206347 Å^3
• Polar Surface Area: 17.82 Å^2