1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione

C21H18N2O4 — CID 127046245

IUPAC1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCc1ccc(N2C(=O)N(C3CC3)C3(OC(=O)c4ccccc43)C2=O)cc1
InChIInChI=1S/C21H18N2O4/c1-2-13-7-9-14(10-8-13)22-19(25)21(23(20(22)26)15-11-12-15)17-6-4-3-5-16(17)18(24)27-21/h3-10,15H,2,11-12H2,1H3
InChIKeyQYWJVMQMZUJYAZ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.20
Rot. Bonds3

About 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione

1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (PubChem CID 127046245) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.

Molecular Properties

Compound Name1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
PubChem CID127046245
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCc1ccc(N2C(=O)N(C3CC3)C3(OC(=O)c4ccccc43)C2=O)cc1
InChIInChI=1S/C21H18N2O4/c1-2-13-7-9-14(10-8-13)22-19(25)21(23(20(22)26)15-11-12-15)17-6-4-3-5-16(17)18(24)27-21/h3-10,15H,2,11-12H2,1H3
InChIKeyQYWJVMQMZUJYAZ-UHFFFAOYSA-N
XLogP3.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The IUPAC name of 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (CID 127046245) is 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.
What is the SMILES notation for 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The canonical SMILES for 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is CCc1ccc(N2C(=O)N(C3CC3)C3(OC(=O)c4ccccc43)C2=O)cc1.
What is the InChIKey of 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The InChIKey is QYWJVMQMZUJYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-2-13-7-9-14(10-8-13)22-19(25)21(23(20(22)26)15-11-12-15)17-6-4-3-5-16(17)18(24)27-21/h3-10,15H,2,11-12H2,1H3.
What are the key properties of 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione has a molecular weight of 362.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropyl-3'-(4-ethylphenyl)spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is sourced from PubChem (CID 127046245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).