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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14145
CHEMBL14145
Compound Name
ChEMBL Synonyms 4-Phenylimidazole
Max Phase 0
Trade Names
Molecular Formula C9H8N2

Additional synonyms for CHEMBL14145 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(cc1)c2cnc[nH]2
Standard InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
Standard InChI Key XHLKOHSAWQPOFO-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14145

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
144.2 144.0687 2.08 1 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
13.3 6.68 2.04 1.92 2 11 0.65

Structural Alerts

There are no structural alerts for CHEMBL14145

Compound Cross References

ChemSpider ChemSpider:XHLKOHSAWQPOFO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14145



ACToR 670-95-1
BindingDB 24656 50126142
Brenda 6233 220338 211140
DrugBank DB03254
eMolecules 481945
EPA CompTox Dashboard DTXSID30217200
IBM Patent System 8FCFBE15B80D091AABCD07723764895F 9FF5932F07040EED809FCA15A6364982 E9624CC19E0D77327CCE412E6A3D83B4 43E2302641C1AE5862D1C88B5C1A9172
Mcule MCULE-2548002175
MolPort MolPort-008-643-753 MolPort-000-146-455
Nikkaji J148.036G
NMRShiftDB 76841
PDBe 231 PIM
PubChem 69590
PubChem: Drugs of the Future 12015948
PubChem: Thomson Pharma 15462026
SureChEMBL SCHEMBL37563
ZINC ZINC000004692811

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