5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione

C20H18N4O4 — CID 18775057

About 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 18775057) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 18775057
• Molecular Formula: C20H18N4O4
• Molecular Weight: 378.39 g/mol
• Exact Mass: 378.13
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1cccn2cc(CN3C(=O)NC(C)(c4ccc5c(c4)OCO5)C3=O)nc12
• InChI: InChI=1S/C20H18N4O4/c1-12-4-3-7-23-9-14(21-17(12)23)10-24-18(25)20(2,22-19(24)26)13-5-6-15-16(8-13)28-11-27-15/h3-9H,10-11H2,1-2H3,(H,22,26)
• InChIKey: SQRSSTZFWPZJAE-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.39
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
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-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione (CID 18775057) is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione is Cc1cccn2cc(CN3C(=O)NC(C)(c4ccc5c(c4)OCO5)C3=O)nc12.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is SQRSSTZFWPZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-12-4-3-7-23-9-14(21-17(12)23)10-24-18(25)20(2,22-19(24)26)13-5-6-15-16(8-13)28-11-27-15/h3-9H,10-11H2,1-2H3,(H,22,26).

What are the key properties of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 378.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18775057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).