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

C23H21N3O3 — CID 3582932

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

3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 3582932) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 3582932
• Molecular Formula: C23H21N3O3
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.16
• IUPAC Name: 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• SMILES: Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
• InChI: InChI=1S/C23H21N3O3/c1-14-20(16-9-3-5-11-18(16)24-14)19(27)13-26-21(28)23(25-22(26)29)12-6-8-15-7-2-4-10-17(15)23/h2-5,7,9-11,24H,6,8,12-13H2,1H3,(H,25,29)
• InChIKey: YDAQQYJPUPSQPK-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 82.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 3582932) is 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

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

The canonical SMILES for 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.

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

The InChIKey is YDAQQYJPUPSQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-20(16-9-3-5-11-18(16)24-14)19(27)13-26-21(28)23(25-22(26)29)12-6-8-15-7-2-4-10-17(15)23/h2-5,7,9-11,24H,6,8,12-13H2,1H3,(H,25,29).

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

3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 387.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 3582932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).