General Information of the Compound
Compound ID
CP0954199
Compound Name
(1-ethyl-4-methoxy-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C23H22N2O2
Molecular Weight
358.441
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OC)cccc21
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InChI
InChI=1S/C23H22N2O2/c1-3-25-19-15-10-16-20(27-2)21(19)24-22(25)23(26,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-16,26H,3H2,1-2H3
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InChIKey
KDGVUXFILIECMJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.349
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
47.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 126726502
ChEMBL ID
CHEMBL4518966
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