General Information of the Compound
Compound ID
CP0959332
Compound Name
2-(hydroxydiphenylmethyl)-N,1-dimethyl-1H-benzo[d]imidazole-5-carboxamide
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Structure
Formula
C23H21N3O2
Molecular Weight
371.44
Canonical SMILES
CNC(=O)c1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C
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InChI
InChI=1S/C23H21N3O2/c1-24-21(27)16-13-14-20-19(15-16)25-22(26(20)2)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28H,1-2H3,(H,24,27)
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InChIKey
ZZOFFISWNIBUNI-UHFFFAOYSA-N
Physicochemical Property
logP
3.2171
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 126729833
ChEMBL ID
CHEMBL4528944
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
   TI
   LI
   LO
   TS