General Information of the Compound
Compound ID
CP0489632
Compound Name
2-(3-Trifluoromethylphenyl)-4(5)-(3-trifluoromethylphenyl)-imidazole
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Structure
Formula
C17H10F6N2
Molecular Weight
356.269
Canonical SMILES
FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C17H10F6N2/c18-16(19,20)12-5-1-3-10(7-12)14-9-24-15(25-14)11-4-2-6-13(8-11)17(21,22)23/h1-9H,(H,24,25)
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InChIKey
JBFQRHXWMOVCLP-UHFFFAOYSA-N
Physicochemical Property
logP
5.7813
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
25

"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: 44574991
ChEMBL ID
CHEMBL510722
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: PT03022, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 200 nM
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