4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

C25H22N4O3S — CID 43905426

About 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 43905426) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
• PubChem CID: 43905426
• Molecular Formula: C25H22N4O3S
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.14
• IUPAC Name: 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
• SMILES: O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C25H22N4O3S/c30-23-16-33-25(29(23)15-22-2-1-13-32-22)20-7-5-19(6-8-20)24(31)27-14-18-3-9-21(10-4-18)28-12-11-26-17-28/h1-13,17,25H,14-16H2,(H,27,31)
• InChIKey: VGNDLVTWCFDTKJ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?

The IUPAC name of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (CID 43905426) is 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.

What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?

The canonical SMILES for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1.

What is the InChIKey of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?

The InChIKey is VGNDLVTWCFDTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c30-23-16-33-25(29(23)15-22-2-1-13-32-22)20-7-5-19(6-8-20)24(31)27-14-18-3-9-21(10-4-18)28-12-11-26-17-28/h1-13,17,25H,14-16H2,(H,27,31).

What are the key properties of 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?

4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 458.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 43905426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).