General Information of the Compound
Compound ID
CP0435997
Compound Name
3-(1-methyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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Structure
Formula
C21H25N3O
Molecular Weight
335.451
Canonical SMILES
CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H25N3O/c1-23-14-12-19(13-15-23)24-16-21(22-20(24)25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,25)
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InChIKey
KFMHNFUCCFKKRZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.0496
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 16125443
SID: 24774184
ChEMBL ID
CHEMBL222402
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: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2918 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 923 nM
   TI
   LI
   LO
   TS