8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one

C14H8F3N5O — CID 10781868

IUPAC8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(C(F)(F)F)c(-n3ccnc3)cc2n2ccnc12
InChIInChI=1S/C14H8F3N5O/c15-14(16,17)8-5-9-11(6-10(8)21-3-1-18-7-21)22-4-2-19-12(22)13(23)20-9/h1-7H,(H,20,23)
InChIKeyZPSHBDBNFJISFL-UHFFFAOYSA-N
MW319.25 g/mol
LogP2.38
Rot. Bonds1

About 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one

8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one (PubChem CID 10781868) has the molecular formula C14H8F3N5O and a molecular weight of 319.25 g/mol. Its IUPAC name is 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
PubChem CID10781868
Molecular FormulaC14H8F3N5O
Molecular Weight319.25 g/mol
Exact Mass319.07
IUPAC Name8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(C(F)(F)F)c(-n3ccnc3)cc2n2ccnc12
InChIInChI=1S/C14H8F3N5O/c15-14(16,17)8-5-9-11(6-10(8)21-3-1-18-7-21)22-4-2-19-12(22)13(23)20-9/h1-7H,(H,20,23)
InChIKeyZPSHBDBNFJISFL-UHFFFAOYSA-N
XLogP2.38
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The IUPAC name of 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one (CID 10781868) is 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(C(F)(F)F)c(-n3ccnc3)cc2n2ccnc12.
What is the InChIKey of 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The InChIKey is ZPSHBDBNFJISFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5O/c15-14(16,17)8-5-9-11(6-10(8)21-3-1-18-7-21)22-4-2-19-12(22)13(23)20-9/h1-7H,(H,20,23).
What are the key properties of 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one has a molecular weight of 319.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 10781868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).