3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C19H26N4O3 — CID 52941517

About 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 52941517) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• PubChem CID: 52941517
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• SMILES: O=C1NC2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1
• InChI: InChI=1S/C19H26N4O3/c24-12-11-21-7-9-22(10-8-21)14-23-17(25)19(20-18(23)26)6-5-15-3-1-2-4-16(15)13-19/h1-4,24H,5-14H2,(H,20,26)
• InChIKey: GCNYORMJDCRZFH-UHFFFAOYSA-N
• XLogP: 0.03
• TPSA: 76.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	0.03
H-Bond Donors ≤ 5	2
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 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 52941517) is 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1.

What is the InChIKey of 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The InChIKey is GCNYORMJDCRZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-12-11-21-7-9-22(10-8-21)14-23-17(25)19(20-18(23)26)6-5-15-3-1-2-4-16(15)13-19/h1-4,24H,5-14H2,(H,20,26).

What are the key properties of 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 358.44 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 52941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).