chempirical

4-Bromo-1-methyl-1H-1,3-benzodiazole

C8H7BrN2CAS 1353679-63-6211.06 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

Properties

Molecular formula
C8H7BrN2
Molar mass
211.06 g/mol
Exact mass
209.9793 Da
logP
2.34Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1353679-63-6
SMILES
CN1C=NC2=C1C=CC=C2Br
InChIKey
RQJWIWNNDYLKNI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrN2/c1-11-5-10-8-6(9)3-2-4-7(8)11/h2-5H,1H3

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Names and synonyms

1 names
  • 4-Bromo-1-methyl-1H-benzo[D]imidazole

Work with 4-Bromo-1-methyl-1H-1,3-benzodiazole

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

1-Methylbenzimidazole1632-83-350 % similar 4,5-Dibromo-1-methyl-1H-imidazole1003-50-538 % similar 8-Bromoquinoline16567-18-338 % similar 8-Bromo-2-chloroquinazoline956100-63-334 % similar 4-Bromo-1-methyl-1H-imidazole-5-carboxaldehyde141524-74-533 % similar 9-Methyladenine700-00-533 % similar 7-Bromo-1H-indazole53857-58-232 % similar 5-Bromo-1-methyl-1H-imidazole1003-21-031 % similar

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

Same formula

6-Bromo-5-methyl (1H)indazole1000343-69-0 7-Bromo-1-methyl-1H-indazole1000576-59-9 5-Bromo-4-methyl-1H-indazole1082041-34-6 5-Bromo-3-methyl-7-azaindole1111637-94-5 2-Methyl-5-bromo-7-azaindole1111638-02-8 7-Bromo-3-methyl-1H-indazole1159511-75-7 5-Bromo-2-methyl-2H-indazole465529-56-0 5-Bromo-1-methyl-1H-indazole465529-57-1

Elsewhere

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