General Information of the Compound
Compound ID
CP0419748
Compound Name
(4-methoxyphenyl)-[2-(4-methoxyphenyl)benzimidazol-1-yl]methanone
    Show/Hide
Structure
Formula
C22H18N2O3
Molecular Weight
358.397
Canonical SMILES
COc1ccc(cc1)C(=O)n1c(nc2ccccc12)-c1ccc(OC)cc1
    Show/Hide
InChI
InChI=1S/C22H18N2O3/c1-26-17-11-7-15(8-12-17)21-23-19-5-3-4-6-20(19)24(21)22(25)16-9-13-18(27-2)14-10-16/h3-14H,1-2H3
    Show/Hide
InChIKey
PXJXUUDEYSHZAX-UHFFFAOYSA-N
Physicochemical Property
logP
4.409
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
53.35
Hydrogen Bond Donor Count
0
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 134141506
ChEMBL ID
CHEMBL3926929
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 5900 nM
   TI
   LI
   LO
   TS
2
Ki = 1500 nM
   TI
   LI
   LO
   TS