General Information of the Compound
Compound ID
CP0476761
Compound Name
2-((4-(4-Fluorophenyl)piperidin-1-yl)methyl)-1-methyl-1H-benzo-[d]imidazole
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Structure
Formula
C20H22FN3
Molecular Weight
323.415
Canonical SMILES
Cn1c(CN2CCC(CC2)c2ccc(F)cc2)nc2ccccc12
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InChI
InChI=1S/C20H22FN3/c1-23-19-5-3-2-4-18(19)22-20(23)14-24-12-10-16(11-13-24)15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3
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InChIKey
YEJCZFQPJIMMCF-UHFFFAOYSA-N
Physicochemical Property
logP
4.092
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
21.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 24815355
SID: 49814530
ChEMBL ID
CHEMBL1774103
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 159 nM
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