N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide

C64H54N10O10S2 — CID 157445988

About N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide

N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide (PubChem CID 157445988) has the molecular formula C64H54N10O10S2 and a molecular weight of 1187.33 g/mol. Its IUPAC name is N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide
• PubChem CID: 157445988
• Molecular Formula: C64H54N10O10S2
• Molecular Weight: 1187.33 g/mol
• Exact Mass: 1186.35
• IUPAC Name: N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide
• SMILES: Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)c4cccnc4)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)c4cccnc4)cc3)cc21
• InChI: InChI=1S/2C32H27N5O5S/c2*1-32(30(39)36-31(40)43-32)17-20-5-9-23(10-6-20)41-19-28-35-26-14-13-25(16-27(26)37(28)2)42-24-11-7-22(8-12-24)34-29(38)21-4-3-15-33-18-21/h2*3-16,18H,17,19H2,1-2H3,(H,34,38)(H,36,39,40)/t2*32-/m10/s1
• InChIKey: BSFMMSBNZVXJPW-ZZWDSARRSA-N
• XLogP: 11.75
• TPSA: 248.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.33
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide (CID 157445988) is N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide is Cn1c(COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)c4cccnc4)cc3)cc21.Cn1c(COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)c4cccnc4)cc3)cc21.

What is the InChIKey of N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide?

The InChIKey is BSFMMSBNZVXJPW-ZZWDSARRSA-N. The full InChI is InChI=1S/2C32H27N5O5S/c2*1-32(30(39)36-31(40)43-32)17-20-5-9-23(10-6-20)41-19-28-35-26-14-13-25(16-27(26)37(28)2)42-24-11-7-22(8-12-24)34-29(38)21-4-3-15-33-18-21/h2*3-16,18H,17,19H2,1-2H3,(H,34,38)(H,36,39,40)/t2*32-/m10/s1.

What are the key properties of N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide?

N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide has a molecular weight of 1187.33 g/mol, XLogP of 11.75, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-methyl-2-[[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide;N-[4-[3-methyl-2-[[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]methyl]benzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 157445988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).