General Information of the Compound
Compound ID
CP0446587
Compound Name
(2-cyclobutylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
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Structure
Formula
C19H18N2O2
Molecular Weight
306.365
Canonical SMILES
COc1ccc(cc1)C(=O)n1c(nc2ccccc12)C1CCC1
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InChI
InChI=1S/C19H18N2O2/c1-23-15-11-9-14(10-12-15)19(22)21-17-8-3-2-7-16(17)20-18(21)13-5-4-6-13/h2-3,7-13H,4-6H2,1H3
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InChIKey
IDDHPLVFJHQUOF-UHFFFAOYSA-N
Physicochemical Property
logP
4.0009
Rotatable Bonds
3
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: 134133524
ChEMBL ID
CHEMBL3898880
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 = 3600 nM
   TI
   LI
   LO
   TS
2
Ki = 900 nM
   TI
   LI
   LO
   TS