1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

C28H32ClN5O3 — CID 70692417

About 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (PubChem CID 70692417) has the molecular formula C28H32ClN5O3 and a molecular weight of 522.05 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
• PubChem CID: 70692417
• Molecular Formula: C28H32ClN5O3
• Molecular Weight: 522.05 g/mol
• Exact Mass: 521.22
• IUPAC Name: 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
• SMILES: CN1C(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl
• InChI: InChI=1S/C28H31N5O3.ClH/c1-30-26(35)28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)33(27(30)36)21-24(34)20-31-16-18-32(19-17-31)25-14-8-9-15-29-25;/h2-15,24,34H,16-21H2,1H3;1H
• InChIKey: IXRBFLNKMUEMAN-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 80.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.05
LogP ≤ 5	2.82
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-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?

The IUPAC name of 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (CID 70692417) is 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?

The canonical SMILES for 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is CN1C(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.

What is the InChIKey of 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?

The InChIKey is IXRBFLNKMUEMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.ClH/c1-30-26(35)28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)33(27(30)36)21-24(34)20-31-16-18-32(19-17-31)25-14-8-9-15-29-25;/h2-15,24,34H,16-21H2,1H3;1H.

What are the key properties of 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?

1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 522.05 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 70692417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).