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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 no structural alerts for CHEMBL15901

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
eMolecules 479507
FDA SRS 2X02101HVF
Human Metabolome Database HMDB41835
IBM Patent System 988F57B1123849FA462052763179D028
IBM Patents US20100067958 US20030143392 US20020086227 US4543368 EP0916737A2 US7365394 EP0611768A2 EP0682283A1 EP0626412B1 US4935782 EP1640802A2 US20100232831 US20070285004 US20030108362 US5567563 EP0904953B1 US20070059626 EP1361483A1 EP0594062A1 US7276110 EP0232496A2 US7855040 US7354690 US6300502 US20070082198 EP0059109A1 US5049487 US20050014082 WO1997034982A1 US5098738 US5789527 EP0490490B1 US20090047743 EP0869970B1 US5236980 US20030165765 US7560203 EP2114968A2 US20090233213 US20070082207 US6004715 US20010009746 US7264803 US5536584 US20060088777 WO2010149258A1 EP0523654A1 US4855133 US4265233 EP0297756B1 US20080021175 US20060111433 US20090318625 US4521505 EP0217302A1 EP1271254B1 US4029626 EP1361483B1 EP2173558A1 US20080255389 EP1253162A2 US20030073660 EP0439211A1 US7179858 EP0193800A2 EP0779765B1 WO2010097746A1 US5411918 US7662528 US20030077515 WO2007103356A2 US4017261 US7025818 WO2000058440A1 US6777150 US20070052051 EP2042932A1 US7704663 US20080182186 US4663263 US7333744 EP0919870B1 US20060159658 EP0662642B1 US20050277048 US20080199218 US4410658 US20050271965 US5604067 EP2008992A1 WO2001026831A1 US4116695 US5104987 EP0156494A1 US20040234878 WO1999062901A1 US5376485 US6844125 US5116935 US6064847
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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