(5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

C13H10N4O2 — CID 118927930

IUPAC(5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2ccc(-c3cnccn3)cc2)N1
InChIInChI=1S/C13H10N4O2/c18-12-11(16-13(19)17-12)9-3-1-8(2-4-9)10-7-14-5-6-15-10/h1-7,11H,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyJSGIZBZDASZZDJ-NSHDSACASA-N
MW254.25 g/mol
LogP1.02
Rot. Bonds2

About (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

(5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 118927930) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID118927930
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name(5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2ccc(-c3cnccn3)cc2)N1
InChIInChI=1S/C13H10N4O2/c18-12-11(16-13(19)17-12)9-3-1-8(2-4-9)10-7-14-5-6-15-10/h1-7,11H,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyJSGIZBZDASZZDJ-NSHDSACASA-N
XLogP1.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
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 (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (CID 118927930) is (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@H](c2ccc(-c3cnccn3)cc2)N1.
What is the InChIKey of (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is JSGIZBZDASZZDJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H10N4O2/c18-12-11(16-13(19)17-12)9-3-1-8(2-4-9)10-7-14-5-6-15-10/h1-7,11H,(H2,16,17,18,19)/t11-/m0/s1.
What are the key properties of (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
(5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 254.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 118927930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).