7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C26H21N5O6 — CID 58041905

IUPAC7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(C#Cc3cccc4c3CCC43NC(=O)NC3=O)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O6/c1-37-16-6-5-15-12-31(20(32)18(15)11-16)13-25(21(33)27-23(35)29-25)9-7-14-3-2-4-19-17(14)8-10-26(19)22(34)28-24(36)30-26/h2-6,11H,8,10,12-13H2,1H3,(H2,27,29,33,35)(H2,28,30,34,36)
InChIKeyHQGDNERWBAPNFB-UHFFFAOYSA-N
MW499.48 g/mol
LogP0.26
Rot. Bonds3

About 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 58041905) has the molecular formula C26H21N5O6 and a molecular weight of 499.48 g/mol. Its IUPAC name is 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID58041905
Molecular FormulaC26H21N5O6
Molecular Weight499.48 g/mol
Exact Mass499.15
IUPAC Name7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(C#Cc3cccc4c3CCC43NC(=O)NC3=O)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O6/c1-37-16-6-5-15-12-31(20(32)18(15)11-16)13-25(21(33)27-23(35)29-25)9-7-14-3-2-4-19-17(14)8-10-26(19)22(34)28-24(36)30-26/h2-6,11H,8,10,12-13H2,1H3,(H2,27,29,33,35)(H2,28,30,34,36)
InChIKeyHQGDNERWBAPNFB-UHFFFAOYSA-N
XLogP0.26
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.48
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 58041905) is 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C(=O)N(CC1(C#Cc3cccc4c3CCC43NC(=O)NC3=O)NC(=O)NC1=O)C2.
What is the InChIKey of 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is HQGDNERWBAPNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O6/c1-37-16-6-5-15-12-31(20(32)18(15)11-16)13-25(21(33)27-23(35)29-25)9-7-14-3-2-4-19-17(14)8-10-26(19)22(34)28-24(36)30-26/h2-6,11H,8,10,12-13H2,1H3,(H2,27,29,33,35)(H2,28,30,34,36).
What are the key properties of 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 499.48 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 58041905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).