General Information of the Compound
Compound ID
CP0398585
Compound Name
1-(3-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)phenyl)ethanone
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Structure
Formula
C23H18F2N2O
Molecular Weight
376.406
Canonical SMILES
CC(=O)c1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1
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InChI
InChI=1S/C23H18F2N2O/c1-15(28)16-3-2-4-17(13-16)22-26-14-23(27-22,18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h2-13H,14H2,1H3,(H,26,27)
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InChIKey
ZWLQIWVDNODMEB-UHFFFAOYSA-N
Physicochemical Property
logP
4.461
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
41.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44573531
ChEMBL ID
CHEMBL523364
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 = 44 nM
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