General Information of the Compound
Compound ID
CP0946788
Compound Name
N-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-2-methoxyacetamide
    Show/Hide
Structure
Formula
C25H25N3O3
Molecular Weight
415.493
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)COC)cc21
    Show/Hide
InChI
InChI=1S/C25H25N3O3/c1-3-28-22-16-20(26-23(29)17-31-2)14-15-21(22)27-24(28)25(30,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,30H,3,17H2,1-2H3,(H,26,29)
    Show/Hide
InChIKey
NVXRWYCAQZRDII-UHFFFAOYSA-N
Physicochemical Property
logP
3.9253
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
76.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 126729841
ChEMBL ID
CHEMBL4541774
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS