5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione

C18H18N6O2 — CID 146089996

IUPAC5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(c2cccc(NCc3cnc4cnccn34)c2)C1=O
InChIInChI=1S/C18H18N6O2/c1-2-15-17(25)24(18(26)22-15)13-5-3-4-12(8-13)20-9-14-10-21-16-11-19-6-7-23(14)16/h3-8,10-11,15,20H,2,9H2,1H3,(H,22,26)
InChIKeySFANOYUYSUXXGV-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.18
Rot. Bonds5

About 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione

5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione (PubChem CID 146089996) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione
PubChem CID146089996
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(c2cccc(NCc3cnc4cnccn34)c2)C1=O
InChIInChI=1S/C18H18N6O2/c1-2-15-17(25)24(18(26)22-15)13-5-3-4-12(8-13)20-9-14-10-21-16-11-19-6-7-23(14)16/h3-8,10-11,15,20H,2,9H2,1H3,(H,22,26)
InChIKeySFANOYUYSUXXGV-UHFFFAOYSA-N
XLogP2.18
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
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 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione (CID 146089996) is 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione is CCC1NC(=O)N(c2cccc(NCc3cnc4cnccn34)c2)C1=O.
What is the InChIKey of 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione?
The InChIKey is SFANOYUYSUXXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-15-17(25)24(18(26)22-15)13-5-3-4-12(8-13)20-9-14-10-21-16-11-19-6-7-23(14)16/h3-8,10-11,15,20H,2,9H2,1H3,(H,22,26).
What are the key properties of 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione?
5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(imidazo[1,2-a]pyrazin-3-ylmethylamino)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146089996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).