5-Iodo-2-methyl-1H-imidazole

C₄H₅IN₂CAS 73746-45-9208.00 g/mol

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Properties

Molecular formula: C₄H₅IN₂
Molar mass: 208.00 g/mol
Exact mass: 207.9497 Da
Melting point: 144–145 °C
logP: 1.32Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

73746-45-9

SMILES

Cc1ncc(I)[nH]1

InChIKey

SEDSLMWYUQACGR-UHFFFAOYSA-N

InChI

InChI=1S/C4H5IN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)

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

Names and synonyms

4 names

1H-Imidazole, 5-iodo-2-methyl-
1H-Imidazole, 4-iodo-2-methyl-
4-Iodo-2-methylimidazole
4-Iodo-2-methyl-1H-imidazole

Work with 5-Iodo-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-Dimethylimidazole930-62-154 % similar 5-Bromo-2-methyl-1H-imidazole16265-11-550 % similar 2-Methyl-5-nitroimidazole696-23-141 % similar 2-Methyl-5-nitroimidazole88054-22-241 % similar 4,5-Diiodo-2-methyl-1H-imidazole73746-44-839 % similar Toxopyrimidine73-67-638 % similar 4-Amino-2-methyl-5-pyrimidinemethanamine95-02-338 % similar 2,5-Dimethylpyrazine123-32-035 % similar

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

Same formula

5-Iodo-1-methyl-1H-imidazole71759-88-1

Elsewhere

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