Details of the Drug

General Information of Drug (ID: DMLAYG7)

Drug Name

1,2,4,5-tetra-substituted imidazole derivative 1

Synonyms

PMID26161824-Compound-81

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Patented	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

481.8

Logarithm of the Partition Coefficient (xlogp)

6.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H19Cl3N4OS
IUPAC Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
Canonical SMILES: CSC1=C(N=C(N1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCC4
InChI: InChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
InChIKey: HYQPTXFCPLFWMJ-UHFFFAOYSA-N