chempirical

2,4,5-Triiodo-1H-imidazole

C3HI3N2CAS 1746-25-4445.77 g/mol

Open in Covalent MOL file
INIINH
Aryl halide

Properties

Molecular formula
C3HI3N2
Molar mass
445.77 g/mol
Exact mass
445.7274 Da
Melting point
191–192 °C
logP
2.22Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1746-25-4
SMILES
Ic1nc(I)c(I)[nH]1
InChIKey
HIDCNJIBRZBEPN-UHFFFAOYSA-N
InChI
InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Imidazole, 2,4,5-triiodo-
  • Imidazole, 2,4,5-triiodo-
  • 2,4,5-Triiodoimidazole
  • RGW 809
  • NSC 222411

Work with 2,4,5-Triiodo-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

4,5-Diiodo-2-methyl-1H-imidazole73746-44-852 % similar 4,5-Diiodo-1H-imidazole15813-09-933 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook