(3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione

C20H18N2O4 — CID 70695777

IUPAC(3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCN1C(=O)N([C@H](C)c2ccccc2)[C@]2(OC(=O)c3ccccc32)C1=O
InChIInChI=1S/C20H18N2O4/c1-3-21-18(24)20(16-12-8-7-11-15(16)17(23)26-20)22(19(21)25)13(2)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/t13-,20-/m1/s1
InChIKeyDSJNRBFZOXCSOU-ZUOKHONESA-N
MW350.37 g/mol
LogP3.06
Rot. Bonds3

About (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione

(3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (PubChem CID 70695777) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.

Molecular Properties

Compound Name(3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
PubChem CID70695777
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione
SMILESCCN1C(=O)N([C@H](C)c2ccccc2)[C@]2(OC(=O)c3ccccc32)C1=O
InChIInChI=1S/C20H18N2O4/c1-3-21-18(24)20(16-12-8-7-11-15(16)17(23)26-20)22(19(21)25)13(2)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/t13-,20-/m1/s1
InChIKeyDSJNRBFZOXCSOU-ZUOKHONESA-N
XLogP3.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.06
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 (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The IUPAC name of (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione (CID 70695777) is (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione.
What is the SMILES notation for (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The canonical SMILES for (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is CCN1C(=O)N([C@H](C)c2ccccc2)[C@]2(OC(=O)c3ccccc32)C1=O.
What is the InChIKey of (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
The InChIKey is DSJNRBFZOXCSOU-ZUOKHONESA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-21-18(24)20(16-12-8-7-11-15(16)17(23)26-20)22(19(21)25)13(2)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/t13-,20-/m1/s1.
What are the key properties of (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione?
(3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione has a molecular weight of 350.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-ethyl-1'-[(1R)-1-phenylethyl]spiro[2-benzofuran-3,5'-imidazolidine]-1,2',4'-trione is sourced from PubChem (CID 70695777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).