General Information of the Compound
Compound ID
CP0522550
Compound Name
6-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyridin-2(1H)-one
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Structure
Formula
C20H15F2N3O
Molecular Weight
351.356
Canonical SMILES
Fc1ccc(cc1)C1(CNC(=N1)c1cccc(=O)[nH]1)c1ccc(F)cc1
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InChI
InChI=1S/C20H15F2N3O/c21-15-8-4-13(5-9-15)20(14-6-10-16(22)11-7-14)12-23-19(25-20)17-2-1-3-18(26)24-17/h1-11H,12H2,(H,23,25)(H,24,26)
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InChIKey
WXNATCXWMXDARJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9467
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
57.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44573697
ChEMBL ID
CHEMBL492377
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000440 LM Homo sapiens (Human)  1
1
IC50 = 8.1 nM
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