1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one

C11H20N4O6 — CID 20557120

IUPAC1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
SMILESCCN1C(=O)N(CN2C(=O)N(CC)C(O)C2O)C(O)C1O
InChIInChI=1S/C11H20N4O6/c1-3-12-6(16)8(18)14(10(12)20)5-15-9(19)7(17)13(4-2)11(15)21/h6-9,16-19H,3-5H2,1-2H3
InChIKeyJGWMLIODGMIXME-UHFFFAOYSA-N
MW304.30 g/mol
LogP-2.27
Rot. Bonds4

About 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one

1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one (PubChem CID 20557120) has the molecular formula C11H20N4O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
PubChem CID20557120
Molecular FormulaC11H20N4O6
Molecular Weight304.30 g/mol
Exact Mass304.14
IUPAC Name1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
SMILESCCN1C(=O)N(CN2C(=O)N(CC)C(O)C2O)C(O)C1O
InChIInChI=1S/C11H20N4O6/c1-3-12-6(16)8(18)14(10(12)20)5-15-9(19)7(17)13(4-2)11(15)21/h6-9,16-19H,3-5H2,1-2H3
InChIKeyJGWMLIODGMIXME-UHFFFAOYSA-N
XLogP-2.27
TPSA128.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one (CID 20557120) is 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one is CCN1C(=O)N(CN2C(=O)N(CC)C(O)C2O)C(O)C1O.
What is the InChIKey of 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
The InChIKey is JGWMLIODGMIXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O6/c1-3-12-6(16)8(18)14(10(12)20)5-15-9(19)7(17)13(4-2)11(15)21/h6-9,16-19H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one has a molecular weight of 304.30 g/mol, XLogP of -2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one is sourced from PubChem (CID 20557120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).