2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole

C22H19Cl3N4S — CID 44570185

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(CC(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N4S/c1-12(2)10-19-27-28-22(30-19)20-13(3)29(16-7-4-14(23)5-8-16)21(26-20)17-9-6-15(24)11-18(17)25/h4-9,11-12H,10H2,1-3H3
InChIKeyMZKJHKVPFXEYHC-UHFFFAOYSA-N
MW477.85 g/mol
LogP7.52
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole (PubChem CID 44570185) has the molecular formula C22H19Cl3N4S and a molecular weight of 477.85 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
PubChem CID44570185
Molecular FormulaC22H19Cl3N4S
Molecular Weight477.85 g/mol
Exact Mass476.04
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(CC(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N4S/c1-12(2)10-19-27-28-22(30-19)20-13(3)29(16-7-4-14(23)5-8-16)21(26-20)17-9-6-15(24)11-18(17)25/h4-9,11-12H,10H2,1-3H3
InChIKeyMZKJHKVPFXEYHC-UHFFFAOYSA-N
XLogP7.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.85
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole (CID 44570185) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole is Cc1c(-c2nnc(CC(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole?
The InChIKey is MZKJHKVPFXEYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4S/c1-12(2)10-19-27-28-22(30-19)20-13(3)29(16-7-4-14(23)5-8-16)21(26-20)17-9-6-15(24)11-18(17)25/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole has a molecular weight of 477.85 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 44570185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).