(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione

C20H20N4O4 — CID 146486754

IUPAC(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2cnc(Oc3cccc4c3C3(CC3)CO4)cn2)C1=O
InChIInChI=1S/C20H20N4O4/c1-3-19(2)17(25)24(18(26)23-19)14-9-22-15(10-21-14)28-13-6-4-5-12-16(13)20(7-8-20)11-27-12/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyZBBLTNAMJSATGA-LJQANCHMSA-N
MW380.40 g/mol
LogP2.92
Rot. Bonds4

About (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione

(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione (PubChem CID 146486754) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione
PubChem CID146486754
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2cnc(Oc3cccc4c3C3(CC3)CO4)cn2)C1=O
InChIInChI=1S/C20H20N4O4/c1-3-19(2)17(25)24(18(26)23-19)14-9-22-15(10-21-14)28-13-6-4-5-12-16(13)20(7-8-20)11-27-12/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyZBBLTNAMJSATGA-LJQANCHMSA-N
XLogP2.92
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione (CID 146486754) is (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2cnc(Oc3cccc4c3C3(CC3)CO4)cn2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione?
The InChIKey is ZBBLTNAMJSATGA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-19(2)17(25)24(18(26)23-19)14-9-22-15(10-21-14)28-13-6-4-5-12-16(13)20(7-8-20)11-27-12/h4-6,9-10H,3,7-8,11H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione?
(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 146486754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).