General Information of the Compound
Compound ID
CP0922095
Compound Name
2-(2-(4,4-difluoro-1-methylcyclohexyl)vinyl)-5-(2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole
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Structure
Formula
C23H21F5N2
Molecular Weight
420.425
Canonical SMILES
CC1(/C=C/c2nc3cc(-c4ccccc4C(F)(F)F)ccc3[nH]2)CCC(F)(F)CC1
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InChI
InChI=1S/C23H21F5N2/c1-21(10-12-22(24,25)13-11-21)9-8-20-29-18-7-6-15(14-19(18)30-20)16-4-2-3-5-17(16)23(26,27)28/h2-9,14H,10-13H2,1H3,(H,29,30)/b9-8+
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InChIKey
SRPRIZCMVQDASK-CMDGGOBGSA-N
Physicochemical Property
logP
7.4775
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
30

"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: 57400868
ChEMBL ID
CHEMBL1955995
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
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