General Information of the Compound
Compound ID
CP0859105
Compound Name
2-(2-cyclohexylvinyl)-5-(2-(trifluoromethoxy)phenyl)-1H-benzo[d]imidazole
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Structure
Formula
C22H21F3N2O
Molecular Weight
386.417
Canonical SMILES
FC(F)(F)Oc1ccccc1-c1ccc2[nH]c(/C=C/C3CCCCC3)nc2c1
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InChI
InChI=1S/C22H21F3N2O/c23-22(24,25)28-20-9-5-4-8-17(20)16-11-12-18-19(14-16)27-21(26-18)13-10-15-6-2-1-3-7-15/h4-5,8-15H,1-3,6-7H2,(H,26,27)/b13-10+
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InChIKey
YBFPJZDPGKDQFG-JLHYYAGUSA-N
Physicochemical Property
logP
6.722
Rotatable Bonds
4
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).

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PubChem ID
CID: 49806081
SID: 103777961
ChEMBL ID
CHEMBL1955988
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 = 14 nM
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