General Information of the Compound
Compound ID
CP0316965
Compound Name
2-(4-ethoxybenzyl)-N,N-diethyl-1-(furan-2-ylmethyl)-1H-benzo[d]imidazole-5-carboxamide
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Structure
Formula
C26H29N3O3
Molecular Weight
431.536
Canonical SMILES
CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccco2)C(=O)N(CC)CC)cc1
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InChI
InChI=1S/C26H29N3O3/c1-4-28(5-2)26(30)20-11-14-24-23(17-20)27-25(29(24)18-22-8-7-15-32-22)16-19-9-12-21(13-10-19)31-6-3/h7-15,17H,4-6,16,18H2,1-3H3
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InChIKey
OVKOMSNTGWCNNR-UHFFFAOYSA-N
Physicochemical Property
logP
5.1491
Rotatable Bonds
9
Heavy Atom Count
32
Polar Areas
60.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 44561004
ChEMBL ID
CHEMBL472121
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 = 3.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 11 nM