3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen

C32H43N5O4S — CID 160931865

About 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen

3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen (PubChem CID 160931865) has the molecular formula C32H43N5O4S and a molecular weight of 593.79 g/mol. Its IUPAC name is 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen.

Molecular Properties

• Compound Name: 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen
• PubChem CID: 160931865
• Molecular Formula: C32H43N5O4S
• Molecular Weight: 593.79 g/mol
• Exact Mass: 593.30
• IUPAC Name: 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen
• SMILES: CC(C)CCN1C(=O)C(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)SC1c1ccccc1N1CCOCC1.[H][H]
• InChI: InChI=1S/C32H41N5O4S.H2/c1-22(2)11-16-36-30(39)28(42-31(36)24-7-3-5-9-26(24)34-17-19-41-20-18-34)21-29(38)35-14-12-23(13-15-35)37-27-10-6-4-8-25(27)33-32(37)40;/h3-10,22-23,28,31H,11-21H2,1-2H3,(H,33,40);1H
• InChIKey: STJFIRDKKRZOGX-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 90.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.79
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

The IUPAC name of 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen (CID 160931865) is 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen.

What is the SMILES notation for 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

The canonical SMILES for 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen is CC(C)CCN1C(=O)C(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)SC1c1ccccc1N1CCOCC1.[H][H].

What is the InChIKey of 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

The InChIKey is STJFIRDKKRZOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O4S.H2/c1-22(2)11-16-36-30(39)28(42-31(36)24-7-3-5-9-26(24)34-17-19-41-20-18-34)21-29(38)35-14-12-23(13-15-35)37-27-10-6-4-8-25(27)33-32(37)40;/h3-10,22-23,28,31H,11-21H2,1-2H3,(H,33,40);1H.

What are the key properties of 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen has a molecular weight of 593.79 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methylbutyl)-2-(2-morpholin-4-ylphenyl)-5-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen is sourced from PubChem (CID 160931865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).