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

C21H18N6O3 — CID 154838563

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

5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 154838563) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 154838563
• Molecular Formula: C21H18N6O3
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.14
• IUPAC Name: 5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
• SMILES: Cc1cccn2cc(Cc3nc(-c4cccc(C5(C)NC(=O)NC5=O)c4)no3)nc12
• InChI: InChI=1S/C21H18N6O3/c1-12-5-4-8-27-11-15(22-18(12)27)10-16-23-17(26-30-16)13-6-3-7-14(9-13)21(2)19(28)24-20(29)25-21/h3-9,11H,10H2,1-2H3,(H2,24,25,28,29)
• InChIKey: YSKUYSWUXSAMCH-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 114.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.41
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (CID 154838563) is 5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is Cc1cccn2cc(Cc3nc(-c4cccc(C5(C)NC(=O)NC5=O)c4)no3)nc12.

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

The InChIKey is YSKUYSWUXSAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-12-5-4-8-27-11-15(22-18(12)27)10-16-23-17(26-30-16)13-6-3-7-14(9-13)21(2)19(28)24-20(29)25-21/h3-9,11H,10H2,1-2H3,(H2,24,25,28,29).

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

5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 402.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154838563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).