5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride

C11H18Cl2N2 — CID 174393482

IUPAC5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride
SMILESCc1ncc(CCl)n1C1CCCCC1.Cl
InChIInChI=1S/C11H17ClN2.ClH/c1-9-13-8-11(7-12)14(9)10-5-3-2-4-6-10;/h8,10H,2-7H2,1H3;1H
InChIKeyICVHIGAMQCXNGT-UHFFFAOYSA-N
MW249.18 g/mol
LogP3.86
Rot. Bonds2

About 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride

5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride (PubChem CID 174393482) has the molecular formula C11H18Cl2N2 and a molecular weight of 249.18 g/mol. Its IUPAC name is 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride
PubChem CID174393482
Molecular FormulaC11H18Cl2N2
Molecular Weight249.18 g/mol
Exact Mass248.08
IUPAC Name5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride
SMILESCc1ncc(CCl)n1C1CCCCC1.Cl
InChIInChI=1S/C11H17ClN2.ClH/c1-9-13-8-11(7-12)14(9)10-5-3-2-4-6-10;/h8,10H,2-7H2,1H3;1H
InChIKeyICVHIGAMQCXNGT-UHFFFAOYSA-N
XLogP3.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride (CID 174393482) is 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride is Cc1ncc(CCl)n1C1CCCCC1.Cl.
What is the InChIKey of 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride?
The InChIKey is ICVHIGAMQCXNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2.ClH/c1-9-13-8-11(7-12)14(9)10-5-3-2-4-6-10;/h8,10H,2-7H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride?
5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride has a molecular weight of 249.18 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-cyclohexyl-2-methylimidazole;hydrochloride is sourced from PubChem (CID 174393482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).