Mebendazole amine

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Systematic / IUPAC Name: (2-Amino-1H-benzimidazol-5-yl)(phenyl)methanone

ID: Reference4915

Other Names: (2-Amino-1H-benzimidazol-5-yl)phenylmethanone;
(2-Amino-1H-benzimidazol-6-yl)phenylmethanone;
(2-Amino-3H-benzimidazol-5-yl)-phenylmethanone;
2-Amino-5(6)-benzoylbenzimidazole;
2-Amino-5-benzoylbenzimidazole ; more

Formula: C14H11N3O

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Pesticides/Herbicides

Spectral Data

Mebendazole amine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/30/2016 12:44:03 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
InChI Key GPMHHSJZGVOEFS-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N
CAS 52329609
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Other Names (2-Amino-1H-benzimidazol-5-yl)phenylmethanone;
(2-Amino-1H-benzimidazol-6-yl)phenylmethanone;
(2-Amino-3H-benzimidazol-5-yl)-phenylmethanone;
2-Amino-5(6)-benzoylbenzimidazole;
2-Amino-5-benzoylbenzimidazole;
2-Amino-5-benzoylbenzo[d]imidazole;
Benzimidazole, 2-amino-5-benzoyl-;
Ketone, 2-amino-5-benzimidazolyl phenyl;
Ketone, 2-amino-6-benzimidazolyl phenyl;
Methanone, (2-amino-1H-benzimidazol-6-yl)phenyl-

In Other Databases

PubChem 40320
ChemSpider 36839
ChemIDPlus 052329609
HMDb HMDB60711
ChEMBL CHEMBL2030560