1-ethyl-3-methylimidazol-3-ium;trihydroiodide

C6H14I3N2+ — CID 175038579

IUPAC1-ethyl-3-methylimidazol-3-ium;trihydroiodide
SMILESCCn1cc[n+](C)c1.I.I.I
InChIInChI=1S/C6H11N2.3HI/c1-3-8-5-4-7(2)6-8;;;/h4-6H,3H2,1-2H3;3*1H/q+1;;;
InChIKeyJMVKEQGTQZVOOD-UHFFFAOYSA-N
MW494.90 g/mol
LogP2.19
Rot. Bonds1

About 1-ethyl-3-methylimidazol-3-ium;trihydroiodide

1-ethyl-3-methylimidazol-3-ium;trihydroiodide (PubChem CID 175038579) has the molecular formula C6H14I3N2+ and a molecular weight of 494.90 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium;trihydroiodide.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium;trihydroiodide
PubChem CID175038579
Molecular FormulaC6H14I3N2+
Molecular Weight494.90 g/mol
Exact Mass494.83
IUPAC Name1-ethyl-3-methylimidazol-3-ium;trihydroiodide
SMILESCCn1cc[n+](C)c1.I.I.I
InChIInChI=1S/C6H11N2.3HI/c1-3-8-5-4-7(2)6-8;;;/h4-6H,3H2,1-2H3;3*1H/q+1;;;
InChIKeyJMVKEQGTQZVOOD-UHFFFAOYSA-N
XLogP2.19
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.90
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 87529717
CID 87529717
tris(1-ethyl-3-methylimidazol-3-ium);phosphite
CID 140574396
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
azane;1-ethyl-3-methylimidazol-3-ium;oxalonitrile
CID 175296554
1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
CID 173195338
dicyanoboranuide;1-ethyl-3-methylimidazol-3-ium
CID 173491123
ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium
CID 87754387
1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate;sulfur monoxide
CID 160555580
1-ethyl-3-methylimidazol-3-ium;pyrimidin-2-amine;chloride
CID 88517074

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazol-3-ium;trihydroiodide?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium;trihydroiodide (CID 175038579) is 1-ethyl-3-methylimidazol-3-ium;trihydroiodide.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium;trihydroiodide?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium;trihydroiodide is CCn1cc[n+](C)c1.I.I.I.
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium;trihydroiodide?
The InChIKey is JMVKEQGTQZVOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.3HI/c1-3-8-5-4-7(2)6-8;;;/h4-6H,3H2,1-2H3;3*1H/q+1;;;.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium;trihydroiodide?
1-ethyl-3-methylimidazol-3-ium;trihydroiodide has a molecular weight of 494.90 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium;trihydroiodide is sourced from PubChem (CID 175038579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).