General Information of the Compound
Compound ID
CP0958051
Compound Name
(1,6-dimethyl-1H-benzo[d]imidazol-2-yl)(6-methoxypyridin-3-yl)(phenyl)methanol
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Structure
Formula
C22H21N3O2
Molecular Weight
359.429
Canonical SMILES
COc1ccc(C(O)(c2ccccc2)c2nc3ccc(C)cc3n2C)cn1
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InChI
InChI=1S/C22H21N3O2/c1-15-9-11-18-19(13-15)25(2)21(24-18)22(26,16-7-5-4-6-8-16)17-10-12-20(27-3)23-14-17/h4-14,26H,1-3H3
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InChIKey
UEZQKTRJFABWTQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.56952
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
60.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 118519261
ChEMBL ID
CHEMBL4513317
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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   LI
   LO
   TS