General Information of the Compound
Compound ID
CP0946449
Compound Name
N-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)acetamide
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Structure
Formula
C24H23N3O2
Molecular Weight
385.467
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(C)=O)cc21
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InChI
InChI=1S/C24H23N3O2/c1-3-27-22-16-20(25-17(2)28)14-15-21(22)26-23(27)24(29,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,29H,3H2,1-2H3,(H,25,28)
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InChIKey
OWESTHMDYXUCHI-UHFFFAOYSA-N
Physicochemical Property
logP
4.2988
Rotatable Bonds
5
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: 126715523
ChEMBL ID
CHEMBL4546463
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
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