General Information of the Compound
Compound ID
CP0951440
Compound Name
2-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yloxy)-N,N-dimethylacetamide
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Structure
Formula
C26H27N3O3
Molecular Weight
429.52
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCC(=O)N(C)C)cc21
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InChI
InChI=1S/C26H27N3O3/c1-4-29-23-17-21(32-18-24(30)28(2)3)15-16-22(23)27-25(29)26(31,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,31H,4,18H2,1-3H3
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InChIKey
ICOSOOUSQYWNDJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8074
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
67.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 126726255
ChEMBL ID
CHEMBL4586732
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 = 250 nM
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