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

C21H20N2O4 — CID 127047406

IUPAC3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCCN1C(=O)N(c2ccc(CC)cc2)C(=O)C12OC(=O)c1ccccc12
InChIInChI=1S/C21H20N2O4/c1-3-13-22-20(26)23(15-11-9-14(4-2)10-12-15)19(25)21(22)17-8-6-5-7-16(17)18(24)27-21/h5-12H,3-4,13H2,1-2H3
InChIKeyNBRQZHMZQCICPS-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.45
Rot. Bonds4

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

3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (PubChem CID 127047406) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.

Molecular Properties

Compound Name3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
PubChem CID127047406
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCCN1C(=O)N(c2ccc(CC)cc2)C(=O)C12OC(=O)c1ccccc12
InChIInChI=1S/C21H20N2O4/c1-3-13-22-20(26)23(15-11-9-14(4-2)10-12-15)19(25)21(22)17-8-6-5-7-16(17)18(24)27-21/h5-12H,3-4,13H2,1-2H3
InChIKeyNBRQZHMZQCICPS-UHFFFAOYSA-N
XLogP3.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.45
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 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The IUPAC name of 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (CID 127047406) is 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.
What is the SMILES notation for 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The canonical SMILES for 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is CCCN1C(=O)N(c2ccc(CC)cc2)C(=O)C12OC(=O)c1ccccc12.
What is the InChIKey of 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The InChIKey is NBRQZHMZQCICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-13-22-20(26)23(15-11-9-14(4-2)10-12-15)19(25)21(22)17-8-6-5-7-16(17)18(24)27-21/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione has a molecular weight of 364.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-ethylphenyl)-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is sourced from PubChem (CID 127047406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).