2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid

C19H19N3O6 — CID 119222652

About 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119222652) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid
• PubChem CID: 119222652
• Molecular Formula: C19H19N3O6
• Molecular Weight: 385.38 g/mol
• Exact Mass: 385.13
• IUPAC Name: 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid
• SMILES: Cc1oc(CN(C)C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)cc1C(=O)O
• InChI: InChI=1S/C19H19N3O6/c1-10-14(16(24)25)8-13(28-10)9-22(3)15(23)11-4-6-12(7-5-11)19(2)17(26)20-18(27)21-19/h4-8H,9H2,1-3H3,(H,24,25)(H2,20,21,26,27)
• InChIKey: HQWYOQNANCGMEA-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 128.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.38
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid?

The IUPAC name of 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid (CID 119222652) is 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid.

What is the SMILES notation for 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid?

The canonical SMILES for 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)cc1C(=O)O.

What is the InChIKey of 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid?

The InChIKey is HQWYOQNANCGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-10-14(16(24)25)8-13(28-10)9-22(3)15(23)11-4-6-12(7-5-11)19(2)17(26)20-18(27)21-19/h4-8H,9H2,1-3H3,(H,24,25)(H2,20,21,26,27).

What are the key properties of 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid?

2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 385.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119222652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).