5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione

C28H23N5O7 — CID 58042154

IUPAC5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4oc(C5(C)NC(=O)NC5=O)c(C)c4c3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H23N5O7/c1-14-18-10-15(4-7-20(18)40-21(14)27(2)23(35)29-25(37)31-27)8-9-28(24(36)30-26(38)32-28)13-33-12-16-5-6-17(39-3)11-19(16)22(33)34/h4-7,10-11H,12-13H2,1-3H3,(H2,29,31,35,37)(H2,30,32,36,38)/t27?,28-/m1/s1
InChIKeyYJQZOBOIFSLTNH-PLYLYKGUSA-N
MW541.52 g/mol
LogP1.39
Rot. Bonds4

About 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione

5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 58042154) has the molecular formula C28H23N5O7 and a molecular weight of 541.52 g/mol. Its IUPAC name is 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
PubChem CID58042154
Molecular FormulaC28H23N5O7
Molecular Weight541.52 g/mol
Exact Mass541.16
IUPAC Name5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4oc(C5(C)NC(=O)NC5=O)c(C)c4c3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H23N5O7/c1-14-18-10-15(4-7-20(18)40-21(14)27(2)23(35)29-25(37)31-27)8-9-28(24(36)30-26(38)32-28)13-33-12-16-5-6-17(39-3)11-19(16)22(33)34/h4-7,10-11H,12-13H2,1-3H3,(H2,29,31,35,37)(H2,30,32,36,38)/t27?,28-/m1/s1
InChIKeyYJQZOBOIFSLTNH-PLYLYKGUSA-N
XLogP1.39
TPSA159.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.52
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione (CID 58042154) is 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4oc(C5(C)NC(=O)NC5=O)c(C)c4c3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is YJQZOBOIFSLTNH-PLYLYKGUSA-N. The full InChI is InChI=1S/C28H23N5O7/c1-14-18-10-15(4-7-20(18)40-21(14)27(2)23(35)29-25(37)31-27)8-9-28(24(36)30-26(38)32-28)13-33-12-16-5-6-17(39-3)11-19(16)22(33)34/h4-7,10-11H,12-13H2,1-3H3,(H2,29,31,35,37)(H2,30,32,36,38)/t27?,28-/m1/s1.
What are the key properties of 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione?
5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 541.52 g/mol, XLogP of 1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-3-methyl-1-benzofuran-2-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 58042154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).