General Information of the Compound
Compound ID
CP0484613
Compound Name
2-Benzyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
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Structure
Formula
C19H22N4
Molecular Weight
306.413
Canonical SMILES
CN1CCN(CC1)c1ccc2nc(Cc3ccccc3)[nH]c2c1
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InChI
InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)16-7-8-17-18(14-16)21-19(20-17)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,20,21)
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InChIKey
QSRZOCWYBAMMSP-UHFFFAOYSA-N
Physicochemical Property
logP
2.9055
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
35.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 45488175
SID: 96032699
ChEMBL ID
CHEMBL568330
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