(4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C22H21N3O4 — CID 2445472

About (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 2445472) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 2445472
• Molecular Formula: C22H21N3O4
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.15
• IUPAC Name: (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• SMILES: C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O
• InChI: InChI=1S/C22H21N3O4/c1-14-12-15-6-2-4-8-17(15)25(14)19(26)13-24-20(27)22(23-21(24)28)10-11-29-18-9-5-3-7-16(18)22/h2-9,14H,10-13H2,1H3,(H,23,28)/t14-,22+/m0/s1
• InChIKey: NLLLYUKXZVVPKP-RCDICMHDSA-N
• XLogP: 2.19
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 2445472) is (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O.

What is the InChIKey of (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is NLLLYUKXZVVPKP-RCDICMHDSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-12-15-6-2-4-8-17(15)25(14)19(26)13-24-20(27)22(23-21(24)28)10-11-29-18-9-5-3-7-16(18)22/h2-9,14H,10-13H2,1H3,(H,23,28)/t14-,22+/m0/s1.

What are the key properties of (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

(4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 391.43 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2445472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).