3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione

C19H16N2O4 — CID 101450331

IUPAC3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCCN1C(=O)N(c2ccccc2)C(=O)C12OC(=O)c1ccccc12
InChIInChI=1S/C19H16N2O4/c1-2-12-20-18(24)21(13-8-4-3-5-9-13)17(23)19(20)15-11-7-6-10-14(15)16(22)25-19/h3-11H,2,12H2,1H3
InChIKeyYUIPHWMFNMFZDJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.89
Rot. Bonds3

About 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione

3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (PubChem CID 101450331) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.

Molecular Properties

Compound Name3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
PubChem CID101450331
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCCN1C(=O)N(c2ccccc2)C(=O)C12OC(=O)c1ccccc12
InChIInChI=1S/C19H16N2O4/c1-2-12-20-18(24)21(13-8-4-3-5-9-13)17(23)19(20)15-11-7-6-10-14(15)16(22)25-19/h3-11H,2,12H2,1H3
InChIKeyYUIPHWMFNMFZDJ-UHFFFAOYSA-N
XLogP2.89
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.89
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'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The IUPAC name of 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (CID 101450331) is 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.
What is the SMILES notation for 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The canonical SMILES for 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is CCCN1C(=O)N(c2ccccc2)C(=O)C12OC(=O)c1ccccc12.
What is the InChIKey of 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The InChIKey is YUIPHWMFNMFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-12-20-18(24)21(13-8-4-3-5-9-13)17(23)19(20)15-11-7-6-10-14(15)16(22)25-19/h3-11H,2,12H2,1H3.
What are the key properties of 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione has a molecular weight of 336.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenyl-1'-propylspiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is sourced from PubChem (CID 101450331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).