General Information of the Compound
Compound ID
CP0964242
Compound Name
2-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-2,2-difluoroethanol
    Show/Hide
Structure
Formula
C24H22F2N2O2
Molecular Weight
408.448
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)CO)cc21
    Show/Hide
InChI
InChI=1S/C24H22F2N2O2/c1-2-28-21-15-19(23(25,26)16-29)13-14-20(21)27-22(28)24(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,29-30H,2,16H2,1H3
    Show/Hide
InChIKey
CIWQTPWVRADPKB-UHFFFAOYSA-N
Physicochemical Property
logP
4.4245
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
58.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 126726532
ChEMBL ID
CHEMBL4513838
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