2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one

C14H12N3OS+ — CID 123746860

IUPAC2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
SMILESO=C1C(c2cccs2)NC2=C[NH+]=C3C=CC=CC3N12
InChIInChI=1S/C14H11N3OS/c18-14-13(11-6-3-7-19-11)16-12-8-15-9-4-1-2-5-10(9)17(12)14/h1-8,10,13,16H/p+1
InChIKeyUGXLYEJFGHHMHS-UHFFFAOYSA-O
MW270.34 g/mol
LogP0.05
Rot. Bonds1

About 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one

2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one (PubChem CID 123746860) has the molecular formula C14H12N3OS+ and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one.

Molecular Properties

Compound Name2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
PubChem CID123746860
Molecular FormulaC14H12N3OS+
Molecular Weight270.34 g/mol
Exact Mass270.07
IUPAC Name2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
SMILESO=C1C(c2cccs2)NC2=C[NH+]=C3C=CC=CC3N12
InChIInChI=1S/C14H11N3OS/c18-14-13(11-6-3-7-19-11)16-12-8-15-9-4-1-2-5-10(9)17(12)14/h1-8,10,13,16H/p+1
InChIKeyUGXLYEJFGHHMHS-UHFFFAOYSA-O
XLogP0.05
TPSA46.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285697
3-(2-fluorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285691
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
4-(2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)benzonitrile
CID 115285684
3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285707
3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
(2S)-2-thiophen-2-ylaziridine
CID 55263035
4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
CID 13312725
3-cyclopentyl-5-hydroxy-2-thiophen-2-yl-1,2-dihydropyrimidin-4-one
CID 70978151
(3R,4R)-3-amino-1-(4-fluorophenyl)-4-thiophen-2-ylazetidin-2-one
CID 124503336
3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 113480754

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The IUPAC name of 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one (CID 123746860) is 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one.
What is the SMILES notation for 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The canonical SMILES for 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one is O=C1C(c2cccs2)NC2=C[NH+]=C3C=CC=CC3N12.
What is the InChIKey of 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The InChIKey is UGXLYEJFGHHMHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H11N3OS/c18-14-13(11-6-3-7-19-11)16-12-8-15-9-4-1-2-5-10(9)17(12)14/h1-8,10,13,16H/p+1.
What are the key properties of 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one has a molecular weight of 270.34 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one is sourced from PubChem (CID 123746860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).