5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide

C18H17N5O6 — CID 24572395

About 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide

5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide (PubChem CID 24572395) has the molecular formula C18H17N5O6 and a molecular weight of 399.36 g/mol. Its IUPAC name is 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
• PubChem CID: 24572395
• Molecular Formula: C18H17N5O6
• Molecular Weight: 399.36 g/mol
• Exact Mass: 399.12
• IUPAC Name: 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
• SMILES: CC1(c2ccco2)NC(=O)N(CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)C1=O
• InChI: InChI=1S/C18H17N5O6/c1-18(12-3-2-4-29-12)16(27)23(17(28)22-18)8-13(24)21-11-6-9(14(19)25)5-10(7-11)15(20)26/h2-7H,8H2,1H3,(H2,19,25)(H2,20,26)(H,21,24)(H,22,28)
• InChIKey: VYQILRQSNYPUCW-UHFFFAOYSA-N
• XLogP: -0.12
• TPSA: 177.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.36
LogP ≤ 5	-0.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?

The IUPAC name of 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide (CID 24572395) is 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide.

What is the SMILES notation for 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?

The canonical SMILES for 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide is CC1(c2ccco2)NC(=O)N(CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)C1=O.

What is the InChIKey of 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?

The InChIKey is VYQILRQSNYPUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O6/c1-18(12-3-2-4-29-12)16(27)23(17(28)22-18)8-13(24)21-11-6-9(14(19)25)5-10(7-11)15(20)26/h2-7H,8H2,1H3,(H2,19,25)(H2,20,26)(H,21,24)(H,22,28).

What are the key properties of 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?

5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 399.36 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 24572395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).