General Information of the Compound
Compound ID
CP0947185
Compound Name
(6-(benzyloxy)-1-ethyl-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C29H26N2O2
Molecular Weight
434.539
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCc3ccccc3)cc21
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InChI
InChI=1S/C29H26N2O2/c1-2-31-27-20-25(33-21-22-12-6-3-7-13-22)18-19-26(27)30-28(31)29(32,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-20,32H,2,21H2,1H3
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InChIKey
RLGYVNJTSNJGHA-UHFFFAOYSA-N
Physicochemical Property
logP
5.9194
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
47.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 126726260
ChEMBL ID
CHEMBL4560193
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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