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

C20H18F2N4O3 — CID 112827970

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

5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 112827970) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 112827970
• Molecular Formula: C20H18F2N4O3
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.13
• IUPAC Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1cccc2nc(CN3C(=O)NC(C)(c4ccc(OC(F)F)cc4)C3=O)cn12
• InChI: InChI=1S/C20H18F2N4O3/c1-12-4-3-5-16-23-14(10-25(12)16)11-26-17(27)20(2,24-19(26)28)13-6-8-15(9-7-13)29-18(21)22/h3-10,18H,11H2,1-2H3,(H,24,28)
• InChIKey: XYKXKSQQHDMVAF-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
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 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione (CID 112827970) is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione is Cc1cccc2nc(CN3C(=O)NC(C)(c4ccc(OC(F)F)cc4)C3=O)cn12.

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

The InChIKey is XYKXKSQQHDMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-12-4-3-5-16-23-14(10-25(12)16)11-26-17(27)20(2,24-19(26)28)13-6-8-15(9-7-13)29-18(21)22/h3-10,18H,11H2,1-2H3,(H,24,28).

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

5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 400.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112827970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).