DC-EBIO   Click here for help

GtoPdb Ligand ID: 2324

Synonyms: dichloro-EBIO
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.79
Molecular weight 230
XLogP 2.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCn1c(=O)[nH]c2c1cc(Cl)c(c2)Cl
Isomeric SMILES CCn1c(=O)[nH]c2c1cc(Cl)c(c2)Cl
InChI InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)
InChI Key LKHRMULASXZCLG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
Synonyms Click here for help
dichloro-EBIO
Database Links Click here for help
ChEMBL Ligand CHEMBL1255655
GtoPdb PubChem SID 135650163
PubChem CID 656765
Search Google for chemical match using the InChIKey LKHRMULASXZCLG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LKHRMULASXZCLG
UniChem Compound Search for chemical match using the InChIKey LKHRMULASXZCLG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LKHRMULASXZCLG-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
DCEBIO (links to external site)
Cat. No. 1422