General Information of the Compound
Compound ID
CP0453681
Compound Name
2-(2-Phenylpiperidin-1-yl)-1H-benzoimidazole
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Structure
Formula
C18H19N3
Molecular Weight
277.371
Canonical SMILES
C1CCN(C(C1)c1ccccc1)c1nc2ccccc2[nH]1
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InChI
InChI=1S/C18H19N3/c1-2-8-14(9-3-1)17-12-6-7-13-21(17)18-19-15-10-4-5-11-16(15)20-18/h1-5,8-11,17H,6-7,12-13H2,(H,19,20)
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InChIKey
SWDBIAFYVWQAFY-UHFFFAOYSA-N
Physicochemical Property
logP
4.2945
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 25157551
SID: 57251638
ChEMBL ID
CHEMBL507161
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: PT02468, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 750 nM
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