6-Iodo-2-methyl-1H-benzimidazole

C8H7IN2CAS 2818-70-4258.06 g/mol

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NINH
Aryl halide

Properties

Molecular formula
C8H7IN2
Molar mass
258.06 g/mol
Exact mass
257.9654 Da
Melting point
220 °C
logP
2.48Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2818-70-4
SMILES
Cc1nc2ccc(I)cc2[nH]1
InChIKey
NOGZXZDMMNTLAO-UHFFFAOYSA-N
InChI
InChI=1S/C8H7IN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)

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Names and synonyms

5 names
  • 1H-Benzimidazole, 6-iodo-2-methyl-
  • Benzimidazole, 5-iodo-2-methyl-
  • Benzimidazole, 5(or 6)-iodo-2-methyl-
  • 1H-Benzimidazole, 5-iodo-2-methyl-
  • 5-Iodo-2-methyl-1H-benzo[D]imidazole

Work with 6-Iodo-2-methyl-1H-benzimidazole

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

5-Chloro-2-methylbenzimidazole2818-69-159 % similar 2,5,6-Trimethylbenzimidazole3363-56-256 % similar 2-Methylbenzimidazole615-15-653 % similar 2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid709-19-350 % similar 5,6-Dichloro-2-methylbenzimidazole6478-79-149 % similar 3,6-Diiodo-9H-carbazole57103-02-339 % similar 2-Mercapto-5-methylbenzimidazole27231-36-338 % similar 1-Iodo-3,4-dimethylbenzene31599-61-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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