3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C23H21N3O5 — CID 71913145

IUPAC3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)N(CCCN2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C23H21N3O5/c1-31-15-8-7-14-9-10-23(18(14)13-15)21(29)26(22(30)24-23)12-4-11-25-19(27)16-5-2-3-6-17(16)20(25)28/h2-3,5-8,13H,4,9-12H2,1H3,(H,24,30)
InChIKeyQMCJCWTTWNYPKF-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.07
Rot. Bonds5

About 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 71913145) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID71913145
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)N(CCCN2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C23H21N3O5/c1-31-15-8-7-14-9-10-23(18(14)13-15)21(29)26(22(30)24-23)12-4-11-25-19(27)16-5-2-3-6-17(16)20(25)28/h2-3,5-8,13H,4,9-12H2,1H3,(H,24,30)
InChIKeyQMCJCWTTWNYPKF-UHFFFAOYSA-N
XLogP2.07
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
3'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 42964488
3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166229412
(3R)-3'-(3-phenoxypropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40855940
3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16571105
2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
CID 67707255
(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 125420530
5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71913144
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
3'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 139005419
3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 138993289
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2702844

Frequently Asked Questions

What is the IUPAC name of 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 71913145) is 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CC2)NC(=O)N(CCCN2C(=O)c3ccccc3C2=O)C1=O.
What is the InChIKey of 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is QMCJCWTTWNYPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-31-15-8-7-14-9-10-23(18(14)13-15)21(29)26(22(30)24-23)12-4-11-25-19(27)16-5-2-3-6-17(16)20(25)28/h2-3,5-8,13H,4,9-12H2,1H3,(H,24,30).
What are the key properties of 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 419.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 71913145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).