chempirical

4,5-Diiodo-2-methyl-1H-imidazole

C4H4I2N2CAS 73746-44-8333.90 g/mol

Open in Covalent MOL file
NIINH
Aryl halide

Properties

Molecular formula
C4H4I2N2
Molar mass
333.90 g/mol
Exact mass
333.8464 Da
logP
1.93Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
73746-44-8
SMILES
Cc1nc(I)c(I)[nH]1
InChIKey
WFEZOLYJPCODOA-UHFFFAOYSA-N
InChI
InChI=1S/C4H4I2N2/c1-2-7-3(5)4(6)8-2/h1H3,(H,7,8)

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Names and synonyms

2 names
  • 1H-Imidazole, 4,5-diiodo-2-methyl-
  • 4,5-Diiodo-2-methylimidazole

Work with 4,5-Diiodo-2-methyl-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-imidazole1746-25-452 % similar 5-Iodo-2-methyl-1H-imidazole73746-45-939 % similar 2,4-Dimethylimidazole930-62-136 % similar 2,5,6-Trimethylbenzimidazole3363-56-234 % similar 6-Iodo-2-methyl-1H-benzimidazole2818-70-434 % similar 5-Bromo-2-methyl-1H-imidazole16265-11-533 % similar Acetoguanamine542-02-932 % similar 2-Methylbenzimidazole615-15-631 % similar

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

Elsewhere

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