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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15901
CHEMBL15901
Compound Name BENZIDINE
ChEMBL Synonyms Benzidine
Max Phase 0
Trade Names
Molecular Formula C12H12N2

Additional synonyms for CHEMBL15901 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)c2ccc(N)cc2
Standard InChI InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1 ...
Download InChI
Standard InChI Key HFACYLZERDEVSX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15901

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
184.2 184.1 1.86 1 52.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.7 1.68 1.68 2 14 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL15901. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HFACYLZERDEVSX-UHFFFAOYSA-N
PubChem SID: 144209557 SID: 144210723 SID: 17390024 SID: 87334335
Wikipedia Benzidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15901



ACToR 92-87-5 531-85-1 46310-07-0
Brenda 32707 10588
ChEBI 80495
eMolecules 479507
EPA CompTox Dashboard DTXSID2020137
FDA SRS 2X02101HVF
Human Metabolome Database HMDB0041835
IBM Patent System 988F57B1123849FA462052763179D028
KEGG Ligand C16444
Mcule MCULE-2044272330
MolPort MolPort-000-630-151
Nikkaji J3.933K
NMRShiftDB 10005692
PubChem 7111
PubChem: Thomson Pharma 15340044
SureChEMBL SCHEMBL29021
ZINC ZINC000000265747

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