General Information of the Compound
Compound ID
CP0905455
Compound Name
(1-ethyl-6-(2-(methylamino)ethoxy)-1H-benzo[d]imidazol-2-yl)diphenylmethanol
    Show/Hide
Structure
Formula
C25H27N3O2
Molecular Weight
401.51
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC)cc21
    Show/Hide
InChI
InChI=1S/C25H27N3O2/c1-3-28-23-18-21(30-17-16-26-2)14-15-22(23)27-24(28)25(29,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,26,29H,3,16-17H2,1-2H3
    Show/Hide
InChIKey
FYVXXRPHNQNBHV-UHFFFAOYSA-N
Physicochemical Property
logP
3.9386
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
59.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 118515925
ChEMBL ID
CHEMBL4518137
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 > 1000 nM
   TI
   LI
   LO
   TS