5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane

C24H32N2O5S — CID 159072984

About 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane

5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane (PubChem CID 159072984) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane.

Molecular Properties

• Compound Name: 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane
• PubChem CID: 159072984
• Molecular Formula: C24H32N2O5S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.20
• IUPAC Name: 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane
• SMILES: C.CCCCCC(O)c1ccc(N2C(=O)NC(=O)C2CCCc2ccc(C(=O)O)s2)cc1
• InChI: InChI=1S/C23H28N2O5S.CH4/c1-2-3-4-8-19(26)15-9-11-16(12-10-15)25-18(21(27)24-23(25)30)7-5-6-17-13-14-20(31-17)22(28)29;/h9-14,18-19,26H,2-8H2,1H3,(H,28,29)(H,24,27,30);1H4
• InChIKey: JZWZAXODIODCGD-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 106.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane?

The IUPAC name of 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane (CID 159072984) is 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane.

What is the SMILES notation for 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane?

The canonical SMILES for 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane is C.CCCCCC(O)c1ccc(N2C(=O)NC(=O)C2CCCc2ccc(C(=O)O)s2)cc1.

What is the InChIKey of 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane?

The InChIKey is JZWZAXODIODCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S.CH4/c1-2-3-4-8-19(26)15-9-11-16(12-10-15)25-18(21(27)24-23(25)30)7-5-6-17-13-14-20(31-17)22(28)29;/h9-14,18-19,26H,2-8H2,1H3,(H,28,29)(H,24,27,30);1H4.

What are the key properties of 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane?

5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane has a molecular weight of 460.60 g/mol, XLogP of 5.14, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylic acid;methane is sourced from PubChem (CID 159072984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).