3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride

C8H15ClN2 — CID 160819911

IUPAC3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride
SMILESCC[n+]1c(C)[nH]c(C)c1C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-5-10-7(3)6(2)9-8(10)4;/h5H2,1-4H3;1H
InChIKeySFKCJOFBZIQYAO-UHFFFAOYSA-N
MW174.67 g/mol
LogP-1.75
Rot. Bonds1

About 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride

3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride (PubChem CID 160819911) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride.

Molecular Properties

Compound Name3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride
PubChem CID160819911
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride
SMILESCC[n+]1c(C)[nH]c(C)c1C.[Cl-]
InChIInChI=1S/C8H14N2.ClH/c1-5-10-7(3)6(2)9-8(10)4;/h5H2,1-4H3;1H
InChIKeySFKCJOFBZIQYAO-UHFFFAOYSA-N
XLogP-1.75
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-decyl-2,4,5-trimethyl-1H-imidazol-3-ium
CID 164896489
azane;1-ethyl-2,4,6-trimethylpyridin-1-ium
CID 68931316
2,3,4,5-tetraethyl-1H-imidazol-3-ium
CID 67303701
3-butyl-2-methyl-1H-benzimidazol-3-ium iodide
CID 141472631
3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium chloride
CID 163329939
bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane
CID 132942760
2-ethyl-3,4,5-trimethyl-1H-pyrrole
CID 578993
2,3-dimethyl-5-octadecyl-1H-imidazol-3-ium chloride
CID 141475876
2,4-dibutyl-3,5-diethyl-1H-imidazol-3-ium
CID 175307213
2,3-dimethyl-5-tetradecyl-1H-imidazol-3-ium chloride
CID 141475875
1-ethyl-2-(hydroxymethyl)-6-methylpyridin-1-ium-3,4-diol chloride
CID 10751372
1-ethyl-2-methyl-4H-[1,3]thiazolo[5,4-b]indol-1-ium iodide
CID 126467920

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride?
The IUPAC name of 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride (CID 160819911) is 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride.
What is the SMILES notation for 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride?
The canonical SMILES for 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride is CC[n+]1c(C)[nH]c(C)c1C.[Cl-].
What is the InChIKey of 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride?
The InChIKey is SFKCJOFBZIQYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-5-10-7(3)6(2)9-8(10)4;/h5H2,1-4H3;1H.
What are the key properties of 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride?
3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride has a molecular weight of 174.67 g/mol, XLogP of -1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride is sourced from PubChem (CID 160819911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).