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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

Structural Alerts

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

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

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
ChEBI 80495
eMolecules 479507
EPA CompTox Dashboard DTXSID2020137
FDA SRS 2X02101HVF
Human Metabolome Database HMDB41835
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 ZINC00265747

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