General Information of the Compound
Compound ID
CP0943932
Compound Name
1-(2-diethylaminoethyl)-2-(4-ethoxybenzyl)-5-trifluoromethylbenzimidazole
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Structure
Formula
C23H28F3N3O
Molecular Weight
419.491
Canonical SMILES
CCOc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2CCN(CC)CC)cc1
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InChI
InChI=1S/C23H28F3N3O/c1-4-28(5-2)13-14-29-21-12-9-18(23(24,25)26)16-20(21)27-22(29)15-17-7-10-19(11-8-17)30-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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InChIKey
FMHDMSQIEOXBJU-UHFFFAOYSA-N
Physicochemical Property
logP
5.3864
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
30.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 21815908
ChEMBL ID
CHEMBL4516385
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 = 420 nM
   TI
   LI
   LO
   TS