1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide

C6H12I2N2 — CID 45266139

IUPAC1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide
SMILESCC1[N+](C)=CC=[N+]1C.[I-].[I-]
InChIInChI=1S/C6H12N2.2HI/c1-6-7(2)4-5-8(6)3;;/h4-6H,1-3H3;2*1H/q+2;;/p-2
InChIKeyKEDMHYUILYVPNQ-UHFFFAOYSA-L
MW365.98 g/mol
LogP-6.22
Rot. Bonds

About 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide

1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide (PubChem CID 45266139) has the molecular formula C6H12I2N2 and a molecular weight of 365.98 g/mol. Its IUPAC name is 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide.

Molecular Properties

Compound Name1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide
PubChem CID45266139
Molecular FormulaC6H12I2N2
Molecular Weight365.98 g/mol
Exact Mass365.91
IUPAC Name1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide
SMILESCC1[N+](C)=CC=[N+]1C.[I-].[I-]
InChIInChI=1S/C6H12N2.2HI/c1-6-7(2)4-5-8(6)3;;/h4-6H,1-3H3;2*1H/q+2;;/p-2
InChIKeyKEDMHYUILYVPNQ-UHFFFAOYSA-L
XLogP-6.22
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.98
LogP ≤ 5-6.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide?
The IUPAC name of 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide (CID 45266139) is 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide.
What is the SMILES notation for 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide?
The canonical SMILES for 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide is CC1[N+](C)=CC=[N+]1C.[I-].[I-].
What is the InChIKey of 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide?
The InChIKey is KEDMHYUILYVPNQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12N2.2HI/c1-6-7(2)4-5-8(6)3;;/h4-6H,1-3H3;2*1H/q+2;;/p-2.
What are the key properties of 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide?
1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide has a molecular weight of 365.98 g/mol, XLogP of -6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2H-imidazole-1,3-diium diiodide is sourced from PubChem (CID 45266139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).