chempirical

Parbendazole

C13H17N3O2CAS 14255-87-9247.30 g/mol

Open in Covalent MOL file
NNHOONH

Properties

Molecular formula
C13H17N3O2
Molar mass
247.30 g/mol
Exact mass
247.1321 Da
Melting point
226 °C (decomposes)
logP
3.10Crippen estimate
Polar surface area
70.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
14255-87-9
SMILES
CCCCc1ccc2nc(N=C(O)OC)[nH]c2c1
InChIKey
YRWLZFXJFBZBEY-UHFFFAOYSA-N
InChI
InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)

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

Names and synonyms

12 names
  • Carbamic acid, N-(6-butyl-1H-benzimidazol-2-yl)-, methyl ester
  • 2-Benzimidazolecarbamic acid, 5-butyl-, methyl ester
  • Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester
  • Methyl 5(6)-butyl-2-benzimidazolecarbamate
  • 5-Butyl-2-(carbomethoxyamino)benzimidazole
  • SKF 29044
  • Methyl 5-butylbenzimidazole-2-carbamate
  • Helmatac
  • Methyl (5-butyl-1H-benzimidazol-2-yl)carbamate
  • Helatac
  • PBZ (fungicide)
  • PBZ

Work with Parbendazole

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

Oxibendazole20559-55-166 % similar Albendazole54965-21-865 % similar (±)-Albendazole sulfoxide54029-12-863 % similar Carbendazim10605-21-760 % similar Fenbendazole43210-67-958 % similar Mebendazole31431-39-756 % similar Oxfendazole53716-50-056 % similar Flubendazole31430-15-652 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook