2-[3-(chloromethyl)cyclohexyl]-1H-imidazole

C10H15ClN2 — CID 123613243

IUPAC2-[3-(chloromethyl)cyclohexyl]-1H-imidazole
SMILESClCC1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C10H15ClN2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h4-5,8-9H,1-3,6-7H2,(H,12,13)
InChIKeyUHYDKOHSTRKNFN-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.92
Rot. Bonds2

About 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole

2-[3-(chloromethyl)cyclohexyl]-1H-imidazole (PubChem CID 123613243) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-(chloromethyl)cyclohexyl]-1H-imidazole
PubChem CID123613243
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-[3-(chloromethyl)cyclohexyl]-1H-imidazole
SMILESClCC1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C10H15ClN2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h4-5,8-9H,1-3,6-7H2,(H,12,13)
InChIKeyUHYDKOHSTRKNFN-UHFFFAOYSA-N
XLogP2.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole?
The IUPAC name of 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole (CID 123613243) is 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole.
What is the SMILES notation for 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole?
The canonical SMILES for 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole is ClCC1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole?
The InChIKey is UHYDKOHSTRKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h4-5,8-9H,1-3,6-7H2,(H,12,13).
What are the key properties of 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole?
2-[3-(chloromethyl)cyclohexyl]-1H-imidazole has a molecular weight of 198.70 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)cyclohexyl]-1H-imidazole is sourced from PubChem (CID 123613243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).