General Information of the Compound
Compound ID
CP0944449
Compound Name
3-((6-chloro-1-methyl-1H-benzo[d]imidazol-2-yl)(hydroxy)(phenyl)methyl)-N-methylbenzamide
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Structure
Formula
C23H20ClN3O2
Molecular Weight
405.885
Canonical SMILES
CNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
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InChI
InChI=1S/C23H20ClN3O2/c1-25-21(28)15-7-6-10-17(13-15)23(29,16-8-4-3-5-9-16)22-26-19-12-11-18(24)14-20(19)27(22)2/h3-14,29H,1-2H3,(H,25,28)
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InChIKey
WBJXJKJMBCJUJZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8705
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 126726288
ChEMBL ID
CHEMBL4535492
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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