5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

C25H28ClFN4O3 — CID 45196944

About 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 45196944) has the molecular formula C25H28ClFN4O3 and a molecular weight of 486.98 g/mol. Its IUPAC name is 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
• PubChem CID: 45196944
• Molecular Formula: C25H28ClFN4O3
• Molecular Weight: 486.98 g/mol
• Exact Mass: 486.18
• IUPAC Name: 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
• SMILES: O=C1NC(c2ccccn2)(C2CCN(Cc3c(F)cccc3Cl)CC2)C(=O)N1CC1CCCO1
• InChI: InChI=1S/C25H28ClFN4O3/c26-20-6-3-7-21(27)19(20)16-30-12-9-17(10-13-30)25(22-8-1-2-11-28-22)23(32)31(24(33)29-25)15-18-5-4-14-34-18/h1-3,6-8,11,17-18H,4-5,9-10,12-16H2,(H,29,33)
• InChIKey: OSZLZYASCFSWGR-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.98
LogP ≤ 5	3.71
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-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?

The IUPAC name of 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (CID 45196944) is 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?

The canonical SMILES for 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is O=C1NC(c2ccccn2)(C2CCN(Cc3c(F)cccc3Cl)CC2)C(=O)N1CC1CCCO1.

What is the InChIKey of 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?

The InChIKey is OSZLZYASCFSWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN4O3/c26-20-6-3-7-21(27)19(20)16-30-12-9-17(10-13-30)25(22-8-1-2-11-28-22)23(32)31(24(33)29-25)15-18-5-4-14-34-18/h1-3,6-8,11,17-18H,4-5,9-10,12-16H2,(H,29,33).

What are the key properties of 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?

5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 486.98 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45196944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).