5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride

C10H16Cl2N2 — CID 53398878

IUPAC5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
SMILESCl.ClCc1cncn1C1CCCCC1
InChIInChI=1S/C10H15ClN2.ClH/c11-6-10-7-12-8-13(10)9-4-2-1-3-5-9;/h7-9H,1-6H2;1H
InChIKeyCJHZJQNETHIJLK-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.55
Rot. Bonds2

About 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride

5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride (PubChem CID 53398878) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
PubChem CID53398878
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
SMILESCl.ClCc1cncn1C1CCCCC1
InChIInChI=1S/C10H15ClN2.ClH/c11-6-10-7-12-8-13(10)9-4-2-1-3-5-9;/h7-9H,1-6H2;1H
InChIKeyCJHZJQNETHIJLK-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole
CID 66150209
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
3-(3-cyclohexylimidazol-4-yl)propan-1-amine
CID 83883482
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
5-[5-(chloromethyl)imidazol-1-yl]piperidin-2-one
CID 66151059
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
CID 154903114
1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one
CID 72898856
2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one
CID 72936950
[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride
CID 131637564

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride (CID 53398878) is 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride is Cl.ClCc1cncn1C1CCCCC1.
What is the InChIKey of 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride?
The InChIKey is CJHZJQNETHIJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2.ClH/c11-6-10-7-12-8-13(10)9-4-2-1-3-5-9;/h7-9H,1-6H2;1H.
What are the key properties of 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride?
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride has a molecular weight of 235.16 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride is sourced from PubChem (CID 53398878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).