General Information of the Compound
Compound ID
CP0464546
Compound Name
4-phenyl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
    Show/Hide
Structure
Formula
C24H19F6N5
Molecular Weight
491.439
Canonical SMILES
FC(F)(F)c1cc(-c2ccccc2)c2nc([nH]c2c1)N1CCN(CC1)c1ncccc1C(F)(F)F
    Show/Hide
InChI
InChI=1S/C24H19F6N5/c25-23(26,27)16-13-17(15-5-2-1-3-6-15)20-19(14-16)32-22(33-20)35-11-9-34(10-12-35)21-18(24(28,29)30)7-4-8-31-21/h1-8,13-14H,9-12H2,(H,32,33)
    Show/Hide
InChIKey
YVMJIVBGYVCKRV-UHFFFAOYSA-N
Physicochemical Property
logP
5.9891
Rotatable Bonds
3
Heavy Atom Count
35
Polar Areas
48.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 11605594
SID: 16708338
ChEMBL ID
CHEMBL385135
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 68 nM
   TI
   LI
   LO
   TS
2
IC50 = 141 nM
   TI
   LI
   LO
   TS