General Information of the Compound
Compound ID
CP0891281
Compound Name
(1-ethyl-6-phenoxy-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C28H24N2O2
Molecular Weight
420.512
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Oc3ccccc3)cc21
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InChI
InChI=1S/C28H24N2O2/c1-2-30-26-20-24(32-23-16-10-5-11-17-23)18-19-25(26)29-27(30)28(31,21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-20,31H,2H2,1H3
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InChIKey
BUSMICDHMGCSJA-UHFFFAOYSA-N
Physicochemical Property
logP
6.1327
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
47.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 126726464
ChEMBL ID
CHEMBL4566279
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
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 < 50 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 250 nM
   TI
   LI
   LO
   TS