SKF96365   

GtoPdb Ligand ID: 2441

Synonyms: SK&F96365 | SK-96365 | SKF-96365
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 45.51
Molecular weight 366.19
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1
Isomeric SMILES COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1
InChI InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3
InChI Key HLMBXBGDBBCYII-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-[2-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole
Synonyms
SK&F96365 | SK-96365 | SKF-96365
Database Links
CAS Registry No. 162849-90-3 (source: Scifinder)
ChEMBL Ligand CHEMBL258502
GtoPdb PubChem SID 135651058
PubChem CID 104956
Search Google for chemical match using the InChIKey HLMBXBGDBBCYII-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HLMBXBGDBBCYII
Search UniChem for chemical match using the InChIKey HLMBXBGDBBCYII-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HLMBXBGDBBCYII