Mebendazole

C₁₆H₁₃N₃O₃CAS 31431-39-7295.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₃N₃O₃
Molar mass: 295.30 g/mol
Exact mass: 295.0957 Da
Density: 1.38 g/mL
Melting point: 288.5 °C
Water solubility: practically insoluble
logP: 2.99Crippen estimate
Polar surface area: 87.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed98.7% of notifiers
H341 Suspected of causing genetic defects10.4% of notifiers
H400 Very toxic to aquatic life14.3% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

31431-39-7

SMILES

COC(O)=Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

InChIKey

OPXLLQIJSORQAM-UHFFFAOYSA-N

InChI

InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)

Weigh it out

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

Names and synonyms

25 names · show all

Carbamic acid, N-(6-benzoyl-1H-benzimidazol-2-yl)-, methyl ester
2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester
Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester
Methyl 5-benzoyl-2-benzimidazolecarbamate
R 17635
Methyl 5-benzoyl-2-benzimidazolylcarbamate
(5-Benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester
5-Benzoyl-2-benzimidazolecarbamic acid methyl ester
Pantelmin
Telmin
Vermox
Mebenvet
Ovitelmin
Besantin
NSC 184849
Verpanyl
Mebex
Equivurm plus
Vermirax
Bantenol
Noverme
Lomper
Vermicidin
Zhihuanqing
Vermoxine

Work with Mebendazole

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

Flubendazole31430-15-680 % similar Nocodazole31430-18-973 % similar Carbendazim10605-21-766 % similar Oxfendazole53716-50-064 % similar Fenbendazole43210-67-963 % similar Parbendazole14255-87-956 % similar Oxibendazole20559-55-153 % similar (±)-Albendazole sulfoxide54029-12-853 % similar

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

Same formula

Nimetazepam2011-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook