Ethyl 4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)benzoate (CHEM061062)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 03:50:11 UTC | ||||||||
| Update Date | 2026-04-03 03:50:11 UTC | ||||||||
| Accession Number | CHEM061062 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)benzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)benzoate belongs to the phenylbenzimidazoles, a subclass of benzimidazoles within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C16H14N2O2S1. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H14N2O2S1 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 298.078 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | ethyl 4-(2-sulfanylidene-3H-benzimidazol-1-yl)benzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C16H14N2O2S/c1-2-20-15(19)11-7-9-12(10-8-11)18-14-6-4-3-5-13(14)17-16(18)21/h3-10H,2H2,1H3,(H,17,21) | ||||||||
| InChI Key | LKLKMJUQNDXMTH-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as phenylbenzimidazoles. Phenylbenzimidazoles are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organoheterocyclic compounds | ||||||||
| Class | Benzimidazoles | ||||||||
| Sub Class | Phenylbenzimidazoles | ||||||||
| Direct Parent | Phenylbenzimidazoles | ||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 2738240 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
