General Information of the Compound
Compound ID
CP0415513
Compound Name
(4-methoxyphenyl)-[2-(2-methylpropyl)benzimidazol-1-yl]methanone
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Structure
Formula
C19H20N2O2
Molecular Weight
308.381
Canonical SMILES
COc1ccc(cc1)C(=O)n1c(CC(C)C)nc2ccccc12
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InChI
InChI=1S/C19H20N2O2/c1-13(2)12-18-20-16-6-4-5-7-17(16)21(18)19(22)14-8-10-15(23-3)11-9-14/h4-11,13H,12H2,1-3H3
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InChIKey
MFYZOIPEYIFSRO-UHFFFAOYSA-N
Physicochemical Property
logP
3.9319
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
44.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 134138598
ChEMBL ID
CHEMBL3932516
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 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS