5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C25H22N4O4S — CID 148861640

About 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 148861640) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 148861640
• Molecular Formula: C25H22N4O4S
• Molecular Weight: 474.54 g/mol
• Exact Mass: 474.14
• IUPAC Name: 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cccnc3)cc21
• InChI: InChI=1S/C25H22N4O4S/c1-25(23(30)28-24(31)34-25)13-16-5-7-17(8-6-16)32-15-22-27-20-10-9-18(12-21(20)29(22)2)33-19-4-3-11-26-14-19/h3-12,14H,13,15H2,1-2H3,(H,28,30,31)
• InChIKey: OZLGOISVPMATLC-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.54
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 148861640) is 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc2ccc(Oc3cccnc3)cc21.

What is the InChIKey of 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is OZLGOISVPMATLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-25(23(30)28-24(31)34-25)13-16-5-7-17(8-6-16)32-15-22-27-20-10-9-18(12-21(20)29(22)2)33-19-4-3-11-26-14-19/h3-12,14H,13,15H2,1-2H3,(H,28,30,31).

What are the key properties of 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 474.54 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-[[4-[(1-methyl-6-pyridin-3-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 148861640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).