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

C35H30Cl2N4O3S — CID 67118447

IUPAC5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)c1cccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(N4CC(=O)NS4(=O)=O)cc3)cc2)c1
InChIInChI=1S/C35H30Cl2N4O3S/c1-23(2)27-4-3-5-28(18-27)26-11-6-24(7-12-26)10-17-34-38-33(31-16-13-29(36)19-32(31)37)21-40(34)20-25-8-14-30(15-9-25)41-22-35(42)39-45(41,43)44/h3-19,21,23H,20,22H2,1-2H3,(H,39,42)
InChIKeyPABMKXJGGVVCNG-UHFFFAOYSA-N
MW657.62 g/mol
LogP8.05
Rot. Bonds8

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

5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 67118447) has the molecular formula C35H30Cl2N4O3S and a molecular weight of 657.62 g/mol. Its IUPAC name is 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID67118447
Molecular FormulaC35H30Cl2N4O3S
Molecular Weight657.62 g/mol
Exact Mass656.14
IUPAC Name5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)c1cccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(N4CC(=O)NS4(=O)=O)cc3)cc2)c1
InChIInChI=1S/C35H30Cl2N4O3S/c1-23(2)27-4-3-5-28(18-27)26-11-6-24(7-12-26)10-17-34-38-33(31-16-13-29(36)19-32(31)37)21-40(34)20-25-8-14-30(15-9-25)41-22-35(42)39-45(41,43)44/h3-19,21,23H,20,22H2,1-2H3,(H,39,42)
InChIKeyPABMKXJGGVVCNG-UHFFFAOYSA-N
XLogP8.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.62
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 67118447) is 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CC(C)c1cccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(N4CC(=O)NS4(=O)=O)cc3)cc2)c1.
What is the InChIKey of 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is PABMKXJGGVVCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30Cl2N4O3S/c1-23(2)27-4-3-5-28(18-27)26-11-6-24(7-12-26)10-17-34-38-33(31-16-13-29(36)19-32(31)37)21-40(34)20-25-8-14-30(15-9-25)41-22-35(42)39-45(41,43)44/h3-19,21,23H,20,22H2,1-2H3,(H,39,42).
What are the key properties of 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 657.62 g/mol, XLogP of 8.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(2,4-dichlorophenyl)-2-[2-[4-(3-propan-2-ylphenyl)phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 67118447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).