Details of the Drug

General Information of Drug (ID: DMYGKW5)

Drug Name

2-Benzyl-4-piperazin-1-yl-1H-benzimidazole

Synonyms

CHEMBL578411; 2-Benzyl-4-piperazin-1-yl-1H-benzimidazole

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

292.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H20N4
IUPAC Name: 2-benzyl-4-piperazin-1-yl-1H-benzimidazole
Canonical SMILES: C1CN(CCN1)C2=CC=CC3=C2N=C(N3)CC4=CC=CC=C4
InChI: InChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-17-20-15-7-4-8-16(18(15)21-17)22-11-9-19-10-12-22/h1-8,19H,9-13H2,(H,20,21)
InChIKey: YTVICZASURPPDE-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 6 receptor (HTR6)	DTT	HTR6	1.23E-05	-0.12	-0.71

Molecular Expression Atlas (MEA)

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References

1	Benzimidazole derivatives as new serotonin 5-HT6 receptor antagonists. Molecular mechanisms of receptor inactivation. J Med Chem. 2010 Feb 11;53(3):1357-69.