General Information of the Compound
Compound ID
CP0157015
Compound Name
2-(4-(cyclopropylmethoxy)benzyl)-N,N-diethyl-1-isopentyl-1H-benzo[d]imidazole-5-carboxamide
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Structure
Formula
C28H37N3O2
Molecular Weight
447.623
Canonical SMILES
CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC4CC4)cc3)nc2c1
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InChI
InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)23-11-14-26-25(18-23)29-27(31(26)16-15-20(3)4)17-21-9-12-24(13-10-21)33-19-22-7-8-22/h9-14,18,20,22H,5-8,15-17,19H2,1-4H3
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InChIKey
CXNZYHMSULMVGD-UHFFFAOYSA-N
Physicochemical Property
logP
5.944
Rotatable Bonds
11
Heavy Atom Count
33
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 44561232
ChEMBL ID
CHEMBL511021
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 = 43 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 53 nM