General Information of the Compound
Compound ID
CP0423644
Compound Name
2-(3-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
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Structure
Formula
C21H15ClF2N2
Molecular Weight
368.814
Canonical SMILES
Fc1ccc(cc1)C1(CNC(=N1)c1cccc(Cl)c1)c1ccc(F)cc1
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InChI
InChI=1S/C21H15ClF2N2/c22-17-3-1-2-14(12-17)20-25-13-21(26-20,15-4-8-18(23)9-5-15)16-6-10-19(24)11-7-16/h1-12H,13H2,(H,25,26)
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InChIKey
XFISQBRWEJAIKH-UHFFFAOYSA-N
Physicochemical Property
logP
4.9118
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 9947469
SID: 14921973
ChEMBL ID
CHEMBL492778
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 = 5.4 nM
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