General Information of the Compound
Compound ID
CP0877580
Compound Name
1-(1-(2-(diethylamino)ethyl)-2-(4-methoxybenzyl)-1H-benzo[d]imidazol-5-yl)ethanone
    Show/Hide
Structure
Formula
C23H29N3O2
Molecular Weight
379.504
Canonical SMILES
CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2cc(C(C)=O)ccc21
    Show/Hide
InChI
InChI=1S/C23H29N3O2/c1-5-25(6-2)13-14-26-22-12-9-19(17(3)27)16-21(22)24-23(26)15-18-7-10-20(28-4)11-8-18/h7-12,16H,5-6,13-15H2,1-4H3
    Show/Hide
InChIKey
DFHRRMKQBCWKFX-UHFFFAOYSA-N
Physicochemical Property
logP
4.1801
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 155528513
ChEMBL ID
CHEMBL4461652
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 > 10000 nM
   TI
   LI
   LO
   TS