1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C19H22N6O3 — CID 72874449

About 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione

1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 72874449) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 72874449
• Molecular Formula: C19H22N6O3
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.18
• IUPAC Name: 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: O=C1CN(CC(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)C(=O)N1
• InChI: InChI=1S/C19H22N6O3/c26-16-12-25(19(28)22-16)13-17(27)23-7-2-4-15(11-23)18-21-6-8-24(18)10-14-3-1-5-20-9-14/h1,3,5-6,8-9,15H,2,4,7,10-13H2,(H,22,26,28)
• InChIKey: YQDCIMUNFIPPCR-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	0.58
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 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 72874449) is 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CN(CC(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)C(=O)N1.

What is the InChIKey of 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is YQDCIMUNFIPPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c26-16-12-25(19(28)22-16)13-17(27)23-7-2-4-15(11-23)18-21-6-8-24(18)10-14-3-1-5-20-9-14/h1,3,5-6,8-9,15H,2,4,7,10-13H2,(H,22,26,28).

What are the key properties of 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72874449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).