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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL306226
CHEMBL306226
Compound Name BENZIMIDAZOLE
ChEMBL Synonyms 1H-Benzo[D]Imidazole | 1H-Benzimidazole | Benzimidazole | 1H-Benzoimidazole
Max Phase 0
Trade Names
Molecular Formula C7H6N2

Additional synonyms for CHEMBL306226 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2[nH]cnc2c1
Standard InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
Standard InChI Key HYZJCKYKOHLVJF-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL306226

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
118.1 118.0531 1.56 0 28.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.56 5.26 1.32 1.31 2 9 0.56

Structural Alerts

There are no structural alerts for CHEMBL306226

Compound Cross References

ChemSpider ChemSpider:HYZJCKYKOHLVJF-UHFFFAOYSA-N
PubChem SID: 144209305 SID: 144213638 SID: 47193726
Wikipedia Benzimidazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL306226



ACToR 116421-27-3
BindingDB 7939
Brenda 1751 90481
ChEBI 41275
ChemicalBook CB2177003
DrugBank DB02962
eMolecules 479591
EPA CompTox Dashboard DTXSID8024573
FDA SRS E24GX49LD8
IBM Patent System 40E39C36BA0FDC156E44681CD50F557E 0FF17E80FD404110808B11B58D826EDE 6DF00768513B77AB9CF9D47C62B6A94C 4535CD355C40479CF174EA2176BAF744
KEGG Ligand C02009
Mcule MCULE-8167283494
MolPort MolPort-000-568-432
Nikkaji J2.303E
NMRShiftDB 10016243
PDBe BZI
PubChem 5798
PubChem: Thomson Pharma 15090832
SureChEMBL SCHEMBL6009
ZINC ZINC000000331902

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HYZJCKYKOHLVJF-UHFFFAOYSA-N spacer
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