1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride

• ChemBase ID: 310261
• Molecular Formular: C11H12Cl2N2
• Molecular Mass: 243.13238
• Monoisotopic Mass: 242.03775375
• SMILES: n1(c(cnc1)CCl)Cc1ccccc1.Cl
• Canonical SMILES: ClCc1cncn1Cc1ccccc1.Cl
• InChI: InChI=1S/C11H11ClN2.ClH/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10;/h1-5,7,9H,6,8H2;1H
• InChIKey: AZQDQUXLNZEVCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride
• IUPAC Traditional name: 1-benzyl-5-(chloromethyl)imidazole hydrochloride
• Synonyms: 1-benzyl-5-(chloromethyl)-1H-imidazole hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8429812
• LogD (pH = 7.4): 2.280201
• Log P: 2.3101683
• Molar Refractivity: 58.2665 cm^3
• Polarizability: 22.149878 Å^3
• Polar Surface Area: 17.82 Å^2