General Information of the Compound
Compound ID
CP0489041
Compound Name
1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazole
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Structure
Formula
C15H21N3
Molecular Weight
243.354
Canonical SMILES
CN1CCCCC1CCn1cnc2ccccc12
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InChI
InChI=1S/C15H21N3/c1-17-10-5-4-6-13(17)9-11-18-12-16-14-7-2-3-8-15(14)18/h2-3,7-8,12-13H,4-6,9-11H2,1H3
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InChIKey
XRSDXBYSJFQJIG-UHFFFAOYSA-N
Physicochemical Property
logP
2.9107
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
21.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 103616908
ChEMBL ID
CHEMBL3593725
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 11000 nM
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