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

• ChemBase ID: 144095
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: c1c(n(cn1)C1CCCCC1)CCl.Cl
• Canonical SMILES: ClCc1cncn1C1CCCCC1.Cl
• InChI: InChI=1S/C10H15ClN2.ClH/c11-6-10-7-12-8-13(10)9-4-2-1-3-5-9;/h7-9H,1-6H2;1H
• InChIKey: CJHZJQNETHIJLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-1-cyclohexyl-1H-imidazole hydrochloride
• IUPAC Traditional name: 5-(chloromethyl)-1-cyclohexylimidazole hydrochloride
• Synonyms: 5-(Chloromethyl)-1-cyclohexyl-1H-imidazole hydrochloride

Database IDs

• MDL Number: MFCD13186111
• PubChem SID: 162238312
• PubChem CID: 53398878

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9155033
• LogD (pH = 7.4): 2.3543103
• Log P: 2.3849657
• Molar Refractivity: 54.6681 cm^3
• Polarizability: 21.04282 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H16Cl2N2

DETAILS

Sigma Aldrich - CBR00849

Other Notes
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Legal Information
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