6-(2-Bromophenyl)-8-fluoro-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxamide

C18H12BrFN4OCAS 151271-08-8399.22 g/mol

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NH2ONNNBrF
Aryl halideImine

Properties

Molecular formula
C18H12BrFN4O
Molar mass
399.22 g/mol
Exact mass
398.0179 Da
logP
4.01Crippen estimate
Polar surface area
74.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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
151271-08-8
SMILES
N=C(O)c1ncn2c1CN=C(c1ccccc1Br)c1cc(F)ccc1-2
InChIKey
OCJHYHKWUWSHEN-UHFFFAOYSA-N
InChI
InChI=1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25)

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Names and synonyms

3 names
  • 6-(2-Bromophenyl)-8-fluoro-4H-imidazo[1,5-A][1,4]benzodiazepine-3-carboxamide
  • 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide, 6-(2-bromophenyl)-8-fluoro-
  • Imidazenil

Work with 6-(2-Bromophenyl)-8-fluoro-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxamide

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-Bromobenzamide4001-73-436 % similar Flumazenil78755-81-435 % similar 2,5-Difluorobenzamide85118-03-234 % similar Bromazolam71368-80-433 % similar 2-Bromo-5-fluorobenzoic acid394-28-533 % similar 2-Amino-5-fluorobenzamide63069-49-833 % similar 3-Fluorobenzamide455-37-833 % similar Estazolam29975-16-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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