Carbendazim
  • CAS Number 10605-21-7
  • Catalog Number io-1919
  • Classification Amines
  • Molecular Weight 191.1900
  • SMILES COC(=O)NC1=NC2=CC=CC=C2N1
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Carbendazim is a member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. It has a role as an antinematodal drug, a metabolite, a microtubule-destabilising agent and an antifungal agrochemical. It is a carbamate ester, a member of benzimidazoles, a benzimidazole fungicide and a benzimidazolylcarbamate fungicide. It is functionally related to a 2-aminobenzimidazole.

1 Carbendazim
2 Carbendazole
3 Mecarzole
4 Bavistin
5 Thicoper
Molecular Formula C9H9N3O2
Canonical SMILES COC(=O)NC1=NC2=CC=CC=C2N1
Isomeric SMILES COC(=O)NC1=NC2=CC=CC=C2N1
Molecular Weight 191.1900
InChIKey TWFZGCMQGLPBSX-UHFFFAOYSA-N
InChI InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
XLogP 1.5000
ExactMass 191.0695
MonoisotopicMass 191.0695
TPSA 67.0000
Complexity 222.0000
Charge 0.0000
HBondDonorCount 2
HBondAcceptorCount 3
RotatableBondCount 2
HeavyAtomCount 14
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 42492
PatentFamilyCount 15218
LiteratureCount 5197