4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole

C12H17ClN2 — CID 130596082

IUPAC4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole
SMILESCCn1cnc(C2=CC(Cl)CC(C)C2)c1
InChIInChI=1S/C12H17ClN2/c1-3-15-7-12(14-8-15)10-4-9(2)5-11(13)6-10/h6-9,11H,3-5H2,1-2H3
InChIKeyLVXCHJHQEHLONX-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.32
Rot. Bonds2

About 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole

4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole (PubChem CID 130596082) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole.

Molecular Properties

Compound Name4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole
PubChem CID130596082
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole
SMILESCCn1cnc(C2=CC(Cl)CC(C)C2)c1
InChIInChI=1S/C12H17ClN2/c1-3-15-7-12(14-8-15)10-4-9(2)5-11(13)6-10/h6-9,11H,3-5H2,1-2H3
InChIKeyLVXCHJHQEHLONX-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole?
The IUPAC name of 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole (CID 130596082) is 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole.
What is the SMILES notation for 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole?
The canonical SMILES for 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole is CCn1cnc(C2=CC(Cl)CC(C)C2)c1.
What is the InChIKey of 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole?
The InChIKey is LVXCHJHQEHLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-3-15-7-12(14-8-15)10-4-9(2)5-11(13)6-10/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole?
4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole has a molecular weight of 224.73 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methylcyclohexen-1-yl)-1-ethylimidazole is sourced from PubChem (CID 130596082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).