General Information of the Compound
Compound ID
CP0905762
Compound Name
2-(2-benzyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)-N,N-diethylethanamine
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Structure
Formula
C21H24F3N3
Molecular Weight
375.438
Canonical SMILES
CCN(CC)CCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21
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InChI
InChI=1S/C21H24F3N3/c1-3-26(4-2)12-13-27-19-11-10-17(21(22,23)24)15-18(19)25-20(27)14-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3
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InChIKey
FUJHPMAIPURDPI-UHFFFAOYSA-N
Physicochemical Property
logP
4.9877
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
21.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 46309339
ChEMBL ID
CHEMBL4470914
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1580 nM
   TI
   LI
   LO
   TS