General Information of the Compound
Compound ID
CP0904609
Compound Name
3-((6-chloro-1-methyl-1H-benzo[d]imidazol-2-yl)(hydroxy)(phenyl)methyl)-N-ethylbenzamide
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Structure
Formula
C24H22ClN3O2
Molecular Weight
419.912
Canonical SMILES
CCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
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InChI
InChI=1S/C24H22ClN3O2/c1-3-26-22(29)16-8-7-11-18(14-16)24(30,17-9-5-4-6-10-17)23-27-20-13-12-19(25)15-21(20)28(23)2/h4-15,30H,3H2,1-2H3,(H,26,29)
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InChIKey
FBHLLFHULGJEOS-UHFFFAOYSA-N
Physicochemical Property
logP
4.2606
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
67.15
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).

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PubChem ID
CID: 118515916
ChEMBL ID
CHEMBL4584024
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
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   LI
   LO
   TS