Details of the Drug

General Information of Drug (ID: DM7JUK0)

Drug Name

2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole

Synonyms

CHEMBL71033; SCHEMBL953521; 2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole; 1H-Imidazole, 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-; BDBM50064817; 2-(2,6-Dimethylbenzyl)-2-imidazoline

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

188.27

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C12H16N2
IUPAC Name: 2-[(2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Canonical SMILES: CC1=C(C(=CC=C1)C)CC2=NCCN2
InChI: InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKey: GPUVYOKQAJEFBO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24782016
TTD ID: D02EPZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2-(Anilino)imidazolines and 2-(benzyl)imidazoline derivatives as h5-HT1D serotonin receptor ligands. Bioorg Med Chem Lett. 2004 Sep 20;14(18):4697-9.