histaprodifen   Click here for help

GtoPdb Ligand ID: 4026

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 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 54.7
Molecular weight 305.19
XLogP 3.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1
Isomeric SMILES NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1
InChI InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)
InChI Key BPZGZNLONLANFE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]ethanamine
Database Links Click here for help
CAS Registry No. 222545-59-7 (source: Scifinder)
ChEMBL Ligand CHEMBL275507
GtoPdb PubChem SID 178100852
PubChem CID 10447834
Search Google for chemical match using the InChIKey BPZGZNLONLANFE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BPZGZNLONLANFE
Search UniChem for chemical match using the InChIKey BPZGZNLONLANFE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BPZGZNLONLANFE