Details of the Drug

General Information of Drug (ID: DM1A4BS)

Drug Name

2-(4-tert-Butyl-phenyl)-4,5-dihydro-1H-imidazole

Synonyms

CHEMBL276868; 67277-66-1; 2-(4-tert-Butyl-phenyl)-4,5-dihydro-1H-imidazole; SCHEMBL8229695; CTK1J3678; DTXSID50658095; ZINC13806045; BDBM50151704; AKOS022538449; 2-(4-tert-Butylphenyl)-4,5-dihydro-1H-imidazole; 1H-Imidazole, 2-[4-(1,1-dimethylethyl)phenyl]-4,5-dihydro-

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)

202.3

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H18N2
IUPAC Name: 2-(4-tert-butylphenyl)-4,5-dihydro-1H-imidazole
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NCCN2
InChI: InChI=1S/C13H18N2/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKey: JRUYKUSXUFPDNO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44269078
CAS Number: 67277-66-1
TTD ID: D0P4KF

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]
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]

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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.