4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one

C11H16N4O6 — CID 54391404

IUPAC4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one
SMILESO=c1n(Cn2cc(O)n(CCO)c2=O)cc(O)n1CCO
InChIInChI=1S/C11H16N4O6/c16-3-1-14-8(18)5-12(10(14)20)7-13-6-9(19)15(2-4-17)11(13)21/h5-6,16-19H,1-4,7H2
InChIKeyVGWZOAXTXFHTLU-UHFFFAOYSA-N
MW300.27 g/mol
LogP-2.49
Rot. Bonds6

About 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one

4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one (PubChem CID 54391404) has the molecular formula C11H16N4O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one
PubChem CID54391404
Molecular FormulaC11H16N4O6
Molecular Weight300.27 g/mol
Exact Mass300.11
IUPAC Name4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one
SMILESO=c1n(Cn2cc(O)n(CCO)c2=O)cc(O)n1CCO
InChIInChI=1S/C11H16N4O6/c16-3-1-14-8(18)5-12(10(14)20)7-13-6-9(19)15(2-4-17)11(13)21/h5-6,16-19H,1-4,7H2
InChIKeyVGWZOAXTXFHTLU-UHFFFAOYSA-N
XLogP-2.49
TPSA134.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one (CID 54391404) is 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one is O=c1n(Cn2cc(O)n(CCO)c2=O)cc(O)n1CCO.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one?
The InChIKey is VGWZOAXTXFHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O6/c16-3-1-14-8(18)5-12(10(14)20)7-13-6-9(19)15(2-4-17)11(13)21/h5-6,16-19H,1-4,7H2.
What are the key properties of 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one?
4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one has a molecular weight of 300.27 g/mol, XLogP of -2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethyl)-1-[[4-hydroxy-3-(2-hydroxyethyl)-2-oxoimidazol-1-yl]methyl]imidazol-2-one is sourced from PubChem (CID 54391404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).