General Information of the Compound
Compound ID
CP0962274
Compound Name
2-methyl-2-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-1-amine
    Show/Hide
Structure
Formula
C14H16F3N3O
Molecular Weight
299.296
Canonical SMILES
CC(C)(CN)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1
    Show/Hide
InChI
InChI=1S/C14H16F3N3O/c1-13(2,8-18)12-19-7-11(20-12)9-3-5-10(6-4-9)21-14(15,16)17/h3-7H,8,18H2,1-2H3,(H,19,20)
    Show/Hide
InChIKey
RLFJWFZXCNCCMX-UHFFFAOYSA-N
Physicochemical Property
logP
3.2116
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
63.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 137642807
ChEMBL ID
CHEMBL4089820
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 230 nM
   TI
   LI
   LO
   TS