Dataset
![molecular Image]()
Dimethylbenzimidazole
Chemical Info
| InChI | InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=CN2 |
| InChI Key | LJUQGASMPRMWIW-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2 |
| Exact Mass | 146.084 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N100606_FB57 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:29:45.023218 |
| MetadataModified | 2024-01-11T09:29:45.184549 |
| MetadataPublished | 2022-04-07 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 504329 | eMolecules |
| CHEMBL351132 | ChEMBL |
| DMD | PDBe |
| C03114 | KEGG Ligand |
| 15890 | ChEBI |
| 675 | PubChem |
| PD039216 | ProbesDrugs |
| 15170852 | PubChem: Thomson Pharma |
| SCHEMBL312977 | SureChEMBL |
| 553XI1DS20 | FDA SRS |
| 20132890 | NMRShiftDB |
| MCULE-3421723513 | Mcule |
| DUXSUK | CCDC |
| J69.209C | Nikkaji |
| DTXSID70870631 | EPA CompTox Dashboard |
| CB2142317 | ChemicalBook |
| 15890 | Rhea |
| HMDB0003701 | Human Metabolome Database |
| MTBLC15890 | Metabolights |
| 111954 | Brenda |
| 120612 | Brenda |
| DB02591 | DrugBank |
| 20896 | Brenda |
| 4770 | Brenda |
| 50208872 | BindingDB |
| HY-W017511 | MedChemExpress |
| ZINC000000388593 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |