1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide

C6H13IN2 — CID 11287892

IUPAC1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide
SMILESCC1=[N+](C)CCN1C.[I-]
InChIInChI=1S/C6H13N2.HI/c1-6-7(2)4-5-8(6)3;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyXJGDWNAOGSXTIR-UHFFFAOYSA-M
MW240.09 g/mol
LogP-3.00
Rot. Bonds

About 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide

1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide (PubChem CID 11287892) has the molecular formula C6H13IN2 and a molecular weight of 240.09 g/mol. Its IUPAC name is 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide
PubChem CID11287892
Molecular FormulaC6H13IN2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC Name1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide
SMILESCC1=[N+](C)CCN1C.[I-]
InChIInChI=1S/C6H13N2.HI/c1-6-7(2)4-5-8(6)3;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyXJGDWNAOGSXTIR-UHFFFAOYSA-M
XLogP-3.00
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 5-3.00
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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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide?
The IUPAC name of 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide (CID 11287892) is 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide.
What is the SMILES notation for 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide?
The canonical SMILES for 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide is CC1=[N+](C)CCN1C.[I-].
What is the InChIKey of 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide?
The InChIKey is XJGDWNAOGSXTIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13N2.HI/c1-6-7(2)4-5-8(6)3;/h4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide?
1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide has a molecular weight of 240.09 g/mol, XLogP of -3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4,5-dihydroimidazol-1-ium iodide is sourced from PubChem (CID 11287892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).