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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL543
CHEMBL543
Compound Name 1-METHYLIMIDAZOLE
ChEMBL Synonyms N-Methylimidazole
Max Phase 0
Trade Names
Molecular Formula C4H6N2

Additional synonyms for CHEMBL543 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1ccnc1
Standard InChI InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
Standard InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL543

Alternate Forms of Compound in ChEMBL


CHEMBL543

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
82.1 82.0531 -0.08 0 17.82 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.35 -.09 -.37 1 6 0.43

Compound Cross References

ChemSpider ChemSpider:MCTWTZJPVLRJOU-UHFFFAOYSA-N
PubChem SID: 11111495 SID: 50106674 SID: 90340868
Wikipedia 1-Methylimidazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL543



ACToR 616-47-7 110069-11-9
BindinDB 7884
ChEBI 113454
eMolecules 476462
FDA SRS P4617QS63Y
IBM Patent System 461740E8C2D84DF2B564810BE6C68453
Mcule MCULE-1857627459
MolPort MolPort-000-157-227
Nikkaji J1.664K
NMRShiftDB 9750
PubChem 1390
PubChem: Thomson Pharma 15146303
SureChEMBL SCHEMBL20112
ZINC ZINC06165925

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