1,2-diiodo-4,5-dimethylimidazole

C5H6I2N2 — CID 129082887

IUPAC1,2-diiodo-4,5-dimethylimidazole
SMILESCc1nc(I)n(I)c1C
InChIInChI=1S/C5H6I2N2/c1-3-4(2)9(7)5(6)8-3/h1-2H3
InChIKeyWBNGGDOLSKWJJL-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.30
Rot. Bonds

About 1,2-diiodo-4,5-dimethylimidazole

1,2-diiodo-4,5-dimethylimidazole (PubChem CID 129082887) has the molecular formula C5H6I2N2 and a molecular weight of 347.93 g/mol. Its IUPAC name is 1,2-diiodo-4,5-dimethylimidazole.

Molecular Properties

Compound Name1,2-diiodo-4,5-dimethylimidazole
PubChem CID129082887
Molecular FormulaC5H6I2N2
Molecular Weight347.93 g/mol
Exact Mass347.86
IUPAC Name1,2-diiodo-4,5-dimethylimidazole
SMILESCc1nc(I)n(I)c1C
InChIInChI=1S/C5H6I2N2/c1-3-4(2)9(7)5(6)8-3/h1-2H3
InChIKeyWBNGGDOLSKWJJL-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-4,5-dimethylimidazole?
The IUPAC name of 1,2-diiodo-4,5-dimethylimidazole (CID 129082887) is 1,2-diiodo-4,5-dimethylimidazole.
What is the SMILES notation for 1,2-diiodo-4,5-dimethylimidazole?
The canonical SMILES for 1,2-diiodo-4,5-dimethylimidazole is Cc1nc(I)n(I)c1C.
What is the InChIKey of 1,2-diiodo-4,5-dimethylimidazole?
The InChIKey is WBNGGDOLSKWJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6I2N2/c1-3-4(2)9(7)5(6)8-3/h1-2H3.
What are the key properties of 1,2-diiodo-4,5-dimethylimidazole?
1,2-diiodo-4,5-dimethylimidazole has a molecular weight of 347.93 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-4,5-dimethylimidazole is sourced from PubChem (CID 129082887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).