General Information of the Compound
Compound ID
CP0198990
Compound Name
2-(4-(cyclopentyloxy)benzyl)-N,N-diethyl-1-isopentyl-1H-benzo[d]imidazole-5-carboxamide
    Show/Hide
Structure
Formula
C29H39N3O2
Molecular Weight
461.65
Canonical SMILES
CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC4CCCC4)cc3)nc2c1
    Show/Hide
InChI
InChI=1S/C29H39N3O2/c1-5-31(6-2)29(33)23-13-16-27-26(20-23)30-28(32(27)18-17-21(3)4)19-22-11-14-25(15-12-22)34-24-9-7-8-10-24/h11-16,20-21,24H,5-10,17-19H2,1-4H3
    Show/Hide
InChIKey
NILJSCAJHVULQP-UHFFFAOYSA-N
Physicochemical Property
logP
6.4766
Rotatable Bonds
10
Heavy Atom Count
34
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 22181408
ChEMBL ID
CHEMBL452803
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 43 nM