General Information of the Compound
Compound ID
CP0496956
Compound Name
5-(4-Methylpiperazin-1-yl)-2-(2-naphthylmethyl)-1H-benzimidazole
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Structure
Formula
C23H24N4
Molecular Weight
356.473
Canonical SMILES
CN1CCN(CC1)c1ccc2nc(Cc3ccc4ccccc4c3)[nH]c2c1
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InChI
InChI=1S/C23H24N4/c1-26-10-12-27(13-11-26)20-8-9-21-22(16-20)25-23(24-21)15-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14,16H,10-13,15H2,1H3,(H,24,25)
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InChIKey
YGHQBPJCQBLHDS-UHFFFAOYSA-N
Physicochemical Property
logP
4.0587
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
35.16
Hydrogen Bond Donor Count
1
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: 45488126
SID: 96032812
ChEMBL ID
CHEMBL565350
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 500 nM
   TI
   LI
   LO
   TS