5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C37H34Cl2N6O4S — CID 59305426

IUPAC5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)N1CCN(c2ccc(-c3ccc(Cc4nc(-c5ccc(Cl)cc5Cl)cn4-c4ccc(N5CC(=O)NS5(=O)=O)cc4)cc3)cc2)CC1=O
InChIInChI=1S/C37H34Cl2N6O4S/c1-24(2)43-18-17-42(23-37(43)47)29-10-7-27(8-11-29)26-5-3-25(4-6-26)19-35-40-34(32-16-9-28(38)20-33(32)39)21-44(35)30-12-14-31(15-13-30)45-22-36(46)41-50(45,48)49/h3-16,20-21,24H,17-19,22-23H2,1-2H3,(H,41,46)
InChIKeyCDHABIPUSIRJGK-UHFFFAOYSA-N
MW729.69 g/mol
LogP6.34
Rot. Bonds8

About 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 59305426) has the molecular formula C37H34Cl2N6O4S and a molecular weight of 729.69 g/mol. Its IUPAC name is 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID59305426
Molecular FormulaC37H34Cl2N6O4S
Molecular Weight729.69 g/mol
Exact Mass728.17
IUPAC Name5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)N1CCN(c2ccc(-c3ccc(Cc4nc(-c5ccc(Cl)cc5Cl)cn4-c4ccc(N5CC(=O)NS5(=O)=O)cc4)cc3)cc2)CC1=O
InChIInChI=1S/C37H34Cl2N6O4S/c1-24(2)43-18-17-42(23-37(43)47)29-10-7-27(8-11-29)26-5-3-25(4-6-26)19-35-40-34(32-16-9-28(38)20-33(32)39)21-44(35)30-12-14-31(15-13-30)45-22-36(46)41-50(45,48)49/h3-16,20-21,24H,17-19,22-23H2,1-2H3,(H,41,46)
InChIKeyCDHABIPUSIRJGK-UHFFFAOYSA-N
XLogP6.34
TPSA107.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.69
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one 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 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 59305426) is 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CC(C)N1CCN(c2ccc(-c3ccc(Cc4nc(-c5ccc(Cl)cc5Cl)cn4-c4ccc(N5CC(=O)NS5(=O)=O)cc4)cc3)cc2)CC1=O.
What is the InChIKey of 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is CDHABIPUSIRJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34Cl2N6O4S/c1-24(2)43-18-17-42(23-37(43)47)29-10-7-27(8-11-29)26-5-3-25(4-6-26)19-35-40-34(32-16-9-28(38)20-33(32)39)21-44(35)30-12-14-31(15-13-30)45-22-36(46)41-50(45,48)49/h3-16,20-21,24H,17-19,22-23H2,1-2H3,(H,41,46).
What are the key properties of 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 729.69 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,4-dichlorophenyl)-2-[[4-[4-(3-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]imidazol-1-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 59305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).