General Information of the Compound
Compound ID
CP0464704
Compound Name
2-(4-tert-butylphenyl)-6-(3-(trifluoromethyl)pyridin-2-yl)-1H-benzo[d]imidazole
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Structure
Formula
C23H20F3N3
Molecular Weight
395.428
Canonical SMILES
CC(C)(C)c1ccc(cc1)-c1nc2cc(ccc2[nH]1)-c1ncccc1C(F)(F)F
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InChI
InChI=1S/C23H20F3N3/c1-22(2,3)16-9-6-14(7-10-16)21-28-18-11-8-15(13-19(18)29-21)20-17(23(24,25)26)5-4-12-27-20/h4-13H,1-3H3,(H,28,29)
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InChIKey
CZXZLJJJPXAZQU-UHFFFAOYSA-N
Physicochemical Property
logP
6.6082
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 44412359
ChEMBL ID
CHEMBL211051
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: PT02183, 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)  1
1
IC50 = 224 nM
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