chempirical

Flubendazole

C16H12FN3O3CAS 31430-15-6313.29 g/mol

Open in Covalent MOL file
OONHNOFNH
Aryl halideKetone

Properties

Molecular formula
C16H12FN3O3
Molar mass
313.29 g/mol
Exact mass
313.0863 Da
Melting point
260 °C
logP
3.12Crippen estimate
Polar surface area
87.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 21 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
31430-15-6
SMILES
COC(O)=Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1
InChIKey
CPEUVMUXAHMANV-UHFFFAOYSA-N
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)

Weigh it out

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Names and synonyms

12 names
  • Carbamic acid, N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]-, methyl ester
  • 2-Benzimidazolecarbamic acid, 5-(p-fluorobenzoyl)-, methyl ester
  • Carbamic acid, [5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]-, methyl ester
  • R 17899
  • Methyl (5-p-fluorobenzoyl-2-benzimidazolyl)carbamate
  • Flubenol
  • Fluvermal
  • R 17889
  • Flumoxane
  • Flumoxal
  • NSC 313680
  • Flubenvet

Work with Flubendazole

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

Mebendazole31431-39-780 % similar Nocodazole31430-18-967 % similar Carbendazim10605-21-754 % similar Oxfendazole53716-50-053 % similar Fenbendazole43210-67-953 % similar Parbendazole14255-87-952 % similar Oxibendazole20559-55-152 % similar (±)-Albendazole sulfoxide54029-12-852 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook