1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide

C7H15IN2 — CID 71343489

IUPAC1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
SMILESCC[NH+]1C=CN(C)C1C.[I-]
InChIInChI=1S/C7H14N2.HI/c1-4-9-6-5-8(3)7(9)2;/h5-7H,4H2,1-3H3;1H
InChIKeyZCVLMQINUCAHNR-UHFFFAOYSA-N
MW254.12 g/mol
LogP-3.34
Rot. Bonds1

About 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide

1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide (PubChem CID 71343489) has the molecular formula C7H15IN2 and a molecular weight of 254.12 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
PubChem CID71343489
Molecular FormulaC7H15IN2
Molecular Weight254.12 g/mol
Exact Mass254.03
IUPAC Name1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
SMILESCC[NH+]1C=CN(C)C1C.[I-]
InChIInChI=1S/C7H14N2.HI/c1-4-9-6-5-8(3)7(9)2;/h5-7H,4H2,1-3H3;1H
InChIKeyZCVLMQINUCAHNR-UHFFFAOYSA-N
XLogP-3.34
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 5-3.34
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-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The IUPAC name of 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide (CID 71343489) is 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The canonical SMILES for 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide is CC[NH+]1C=CN(C)C1C.[I-].
What is the InChIKey of 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The InChIKey is ZCVLMQINUCAHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.HI/c1-4-9-6-5-8(3)7(9)2;/h5-7H,4H2,1-3H3;1H.
What are the key properties of 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide has a molecular weight of 254.12 g/mol, XLogP of -3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide is sourced from PubChem (CID 71343489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).