General Information of the Compound
Compound ID
CP0268831
Compound Name
2-(4-Phenyl-piperazin-1-ylmethyl)-1H-benzoimidazole
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Structure
Formula
C18H20N4
Molecular Weight
292.386
Canonical SMILES
C(N1CCN(CC1)c1ccccc1)c1nc2ccccc2[nH]1
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InChI
InChI=1S/C18H20N4/c1-2-6-15(7-3-1)22-12-10-21(11-13-22)14-18-19-16-8-4-5-9-17(16)20-18/h1-9H,10-14H2,(H,19,20)
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InChIKey
IRHVKGPETODEAT-UHFFFAOYSA-N
Physicochemical Property
logP
2.8851
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
35.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 9857248
SID: 14820386
ChEMBL ID
CHEMBL77708
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: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 30.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 10.1 nM
2 Ki = 52 nM