1-ethyl-2-methyl-1H-imidazol-1-ium iodide

C6H11IN2 — CID 68981152

IUPAC1-ethyl-2-methyl-1H-imidazol-1-ium iodide
SMILESCC[NH+]1C=CN=C1C.[I-]
InChIInChI=1S/C6H10N2.HI/c1-3-8-5-4-7-6(8)2;/h4-5H,3H2,1-2H3;1H
InChIKeyVIRUUSWVRFUKGG-UHFFFAOYSA-N
MW238.07 g/mol
LogP-3.20
Rot. Bonds1

About 1-ethyl-2-methyl-1H-imidazol-1-ium iodide

1-ethyl-2-methyl-1H-imidazol-1-ium iodide (PubChem CID 68981152) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 1-ethyl-2-methyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-ethyl-2-methyl-1H-imidazol-1-ium iodide
PubChem CID68981152
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Name1-ethyl-2-methyl-1H-imidazol-1-ium iodide
SMILESCC[NH+]1C=CN=C1C.[I-]
InChIInChI=1S/C6H10N2.HI/c1-3-8-5-4-7-6(8)2;/h4-5H,3H2,1-2H3;1H
InChIKeyVIRUUSWVRFUKGG-UHFFFAOYSA-N
XLogP-3.20
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-ethyl-2-methyl-1H-imidazol-1-ium iodide (CID 68981152) is 1-ethyl-2-methyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-ethyl-2-methyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-ethyl-2-methyl-1H-imidazol-1-ium iodide is CC[NH+]1C=CN=C1C.[I-].
What is the InChIKey of 1-ethyl-2-methyl-1H-imidazol-1-ium iodide?
The InChIKey is VIRUUSWVRFUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.HI/c1-3-8-5-4-7-6(8)2;/h4-5H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-2-methyl-1H-imidazol-1-ium iodide?
1-ethyl-2-methyl-1H-imidazol-1-ium iodide has a molecular weight of 238.07 g/mol, XLogP of -3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 68981152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).