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

C33H23Cl2F3N4O3S — CID 11411336

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

4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 11411336) has the molecular formula C33H23Cl2F3N4O3S and a molecular weight of 683.54 g/mol. Its IUPAC name is 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

• Compound Name: 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
• PubChem CID: 11411336
• Molecular Formula: C33H23Cl2F3N4O3S
• Molecular Weight: 683.54 g/mol
• Exact Mass: 682.08
• IUPAC Name: 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
• SMILES: O=C1NS(=O)(=O)NC1c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
• InChI: InChI=1S/C33H23Cl2F3N4O3S/c34-26-13-14-27(28(35)17-26)29-19-42(18-21-6-11-23(12-7-21)31-32(43)41-46(44,45)40-31)30(39-29)15-8-20-4-9-22(10-5-20)24-2-1-3-25(16-24)33(36,37)38/h1-17,19,31,40H,18H2,(H,41,43)/b15-8+
• InChIKey: BXABURDJCZXXEU-OVCLIPMQSA-N
• XLogP: 7.77
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.54
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

The IUPAC name of 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 11411336) is 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

What is the SMILES notation for 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

The canonical SMILES for 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1NS(=O)(=O)NC1c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1.

What is the InChIKey of 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

The InChIKey is BXABURDJCZXXEU-OVCLIPMQSA-N. The full InChI is InChI=1S/C33H23Cl2F3N4O3S/c34-26-13-14-27(28(35)17-26)29-19-42(18-21-6-11-23(12-7-21)31-32(43)41-46(44,45)40-31)30(39-29)15-8-20-4-9-22(10-5-20)24-2-1-3-25(16-24)33(36,37)38/h1-17,19,31,40H,18H2,(H,41,43)/b15-8+.

What are the key properties of 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 683.54 g/mol, XLogP of 7.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-(2,4-dichlorophenyl)-2-[(E)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethenyl]imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 11411336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).