General Information of the Compound
Compound ID
CP0959330
Compound Name
(6-(2-(dimethylamino)ethoxy)-1-ethyl-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C26H29N3O2
Molecular Weight
415.537
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCN(C)C)cc21
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InChI
InChI=1S/C26H29N3O2/c1-4-29-24-19-22(31-18-17-28(2)3)15-16-23(24)27-25(29)26(30,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,19,30H,4,17-18H2,1-3H3
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InChIKey
WUXZMRFBJMJKPK-UHFFFAOYSA-N
Physicochemical Property
logP
4.2808
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
50.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 118515952
ChEMBL ID
CHEMBL4557831
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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