5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C40H40N4O7S — CID 139846165

About 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 139846165) has the molecular formula C40H40N4O7S and a molecular weight of 720.85 g/mol. Its IUPAC name is 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 139846165
• Molecular Formula: C40H40N4O7S
• Molecular Weight: 720.85 g/mol
• Exact Mass: 720.26
• IUPAC Name: 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1c(C)c2c(c(C)c1O)C(=NOCc1ccccc1)CC(C)(COc1ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c1)O2
• InChI: InChI=1S/C40H40N4O7S/c1-23-24(2)37-35(25(3)36(23)45)31(43-50-20-27-9-7-6-8-10-27)19-40(4,51-37)22-49-29-15-16-30-32(18-29)44(5)34(41-30)21-48-28-13-11-26(12-14-28)17-33-38(46)42-39(47)52-33/h6-16,18,33,45H,17,19-22H2,1-5H3,(H,42,46,47)
• InChIKey: CSUDWFWXGWCTHG-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	720.85
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 139846165) is 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1c(C)c2c(c(C)c1O)C(=NOCc1ccccc1)CC(C)(COc1ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c1)O2.

What is the InChIKey of 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is CSUDWFWXGWCTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N4O7S/c1-23-24(2)37-35(25(3)36(23)45)31(43-50-20-27-9-7-6-8-10-27)19-40(4,51-37)22-49-29-15-16-30-32(18-29)44(5)34(41-30)21-48-28-13-11-26(12-14-28)17-33-38(46)42-39(47)52-33/h6-16,18,33,45H,17,19-22H2,1-5H3,(H,42,46,47).

What are the key properties of 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 720.85 g/mol, XLogP of 7.22, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[6-[(6-hydroxy-2,5,7,8-tetramethyl-4-phenylmethoxyimino-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 139846165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).