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

C24H23Cl3N4S — CID 44570228

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole
SMILESCCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1
InChIInChI=1S/C24H23Cl3N4S/c1-4-5-6-14(2)23-29-30-24(32-23)21-15(3)31(18-10-7-16(25)8-11-18)22(28-21)19-12-9-17(26)13-20(19)27/h7-14H,4-6H2,1-3H3
InChIKeyQUGIXOGPMJHGJD-UHFFFAOYSA-N
MW505.90 g/mol
LogP8.62
Rot. Bonds7

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

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole (PubChem CID 44570228) has the molecular formula C24H23Cl3N4S and a molecular weight of 505.90 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole
PubChem CID44570228
Molecular FormulaC24H23Cl3N4S
Molecular Weight505.90 g/mol
Exact Mass504.07
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole
SMILESCCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1
InChIInChI=1S/C24H23Cl3N4S/c1-4-5-6-14(2)23-29-30-24(32-23)21-15(3)31(18-10-7-16(25)8-11-18)22(28-21)19-12-9-17(26)13-20(19)27/h7-14H,4-6H2,1-3H3
InChIKeyQUGIXOGPMJHGJD-UHFFFAOYSA-N
XLogP8.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.90
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-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-hexan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole (CID 44570228) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole is CCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole?
The InChIKey is QUGIXOGPMJHGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4S/c1-4-5-6-14(2)23-29-30-24(32-23)21-15(3)31(18-10-7-16(25)8-11-18)22(28-21)19-12-9-17(26)13-20(19)27/h7-14H,4-6H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-thiadiazole has a molecular weight of 505.90 g/mol, XLogP of 8.62, 7 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-hexan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 44570228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).