About 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione
1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione (PubChem CID 66662747) has the molecular formula C25H23N3O5
and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione |
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| PubChem CID | 66662747 |
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| Molecular Formula | C25H23N3O5 |
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| Molecular Weight | 445.48 g/mol |
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| Exact Mass | 445.16 |
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| IUPAC Name | 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione |
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| SMILES | CN1CC(=O)N(c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cc2)C1=O |
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| InChI | InChI=1S/C25H23N3O5/c1-26-14-20(29)28(23(26)32)17-8-6-16(7-9-17)24(10-11-24)22(31)27-13-12-25(15-27)19-5-3-2-4-18(19)21(30)33-25/h2-9H,10-15H2,1H3 |
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| InChIKey | KDKXJEBNPLXRNK-UHFFFAOYSA-N |
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| XLogP | 2.41 |
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| TPSA | 87.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 445.48 |
| LogP ≤ 5 | 2.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione (CID 66662747) is 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione is CN1CC(=O)N(c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cc2)C1=O.
What is the InChIKey of 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is KDKXJEBNPLXRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-26-14-20(29)28(23(26)32)17-8-6-16(7-9-17)24(10-11-24)22(31)27-13-12-25(15-27)19-5-3-2-4-18(19)21(30)33-25/h2-9H,10-15H2,1H3.
What are the key properties of 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione?
1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 445.48 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[1-(3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66662747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).