General Information of the Compound
Compound ID
CP0526257
Compound Name
2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
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Structure
Formula
C24H23N3O
Molecular Weight
369.468
Canonical SMILES
Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cccc2C)cc1C
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InChI
InChI=1S/C24H23N3O/c1-14-8-10-19(12-17(14)4)25-24(28)18-9-11-20-21(13-18)27-23(26-20)22-15(2)6-5-7-16(22)3/h5-13H,1-4H3,(H,25,28)(H,26,27)
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InChIKey
JIODJQVJUKVVKX-UHFFFAOYSA-N
Physicochemical Property
logP
5.71588
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 66965879
ChEMBL ID
CHEMBL2063279
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: PT02536, Diacylglycerol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1400 nM
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