chempirical

4,5-Diiodo-1H-imidazole

C3H2I2N2CAS 15813-09-9319.87 g/mol

Open in Covalent MOL file
INHNI
Aryl halide

Properties

Molecular formula
C3H2I2N2
Molar mass
319.87 g/mol
Exact mass
319.8307 Da
Melting point
182 °C
logP
1.62Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
15813-09-9
SMILES
Ic1nc[nH]c1I
InChIKey
XMWPTVMTXKJONE-UHFFFAOYSA-N
InChI
InChI=1S/C3H2I2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 1H-Imidazole, 4,5-diiodo-
  • Imidazole, 4,5-diiodo-
  • 4,5-Diiodoimidazole

Work with 4,5-Diiodo-1H-imidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Triiodo-1H-imidazole1746-25-433 % similar 4,5-Diiodo-2-methyl-1H-imidazole73746-44-831 % similar Purine120-73-030 % similar 2-Iodo-3-pyridinol40263-57-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook