General Information of the Compound
Compound ID
CP0474884
Compound Name
(3-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)phenyl)methanol
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Structure
Formula
C22H18F2N2O
Molecular Weight
364.395
Canonical SMILES
OCc1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1
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InChI
InChI=1S/C22H18F2N2O/c23-19-8-4-17(5-9-19)22(18-6-10-20(24)11-7-18)14-25-21(26-22)16-3-1-2-15(12-16)13-27/h1-12,27H,13-14H2,(H,25,26)
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InChIKey
HWNJFZICDNZALT-UHFFFAOYSA-N
Physicochemical Property
logP
3.7507
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
44.62
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 44573533
ChEMBL ID
CHEMBL493998
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 = 59 nM
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