General Information of the Compound
Compound ID
CP0859108
Compound Name
2-(2-(4-methyltetrahydro-2H-pyran-4-yl)vinyl)-5-(2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole
    Show/Hide
Structure
Formula
C22H21F3N2O
Molecular Weight
386.417
Canonical SMILES
CC1(/C=C/c2nc3cc(-c4ccccc4C(F)(F)F)ccc3[nH]2)CCOCC1
    Show/Hide
InChI
InChI=1S/C22H21F3N2O/c1-21(10-12-28-13-11-21)9-8-20-26-18-7-6-15(14-19(18)27-20)16-4-2-3-5-17(16)22(23,24)25/h2-9,14H,10-13H2,1H3,(H,26,27)/b9-8+
    Show/Hide
InChIKey
NCPQMYXWLUZKDE-CMDGGOBGSA-N
Physicochemical Property
logP
6.0786
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 49805357
SID: 103777191
ChEMBL ID
CHEMBL1955997
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00608, Transient receptor potential M8 protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 8.9 nM
   TI
   LI
   LO
   TS