4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol

C9H20N2O8 — CID 170842161

IUPAC4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol
SMILESO=C1N(CO)C(O)C(O)N1CO.OCCOCCO
InChIInChI=1S/C5H10N2O5.C4H10O3/c8-1-6-3(10)4(11)7(2-9)5(6)12;5-1-3-7-4-2-6/h3-4,8-11H,1-2H2;5-6H,1-4H2
InChIKeyRDUWTTRJZAFZAU-UHFFFAOYSA-N
MW284.27 g/mol
LogP-3.75
Rot. Bonds6

About 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol

4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol (PubChem CID 170842161) has the molecular formula C9H20N2O8 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol
PubChem CID170842161
Molecular FormulaC9H20N2O8
Molecular Weight284.27 g/mol
Exact Mass284.12
IUPAC Name4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol
SMILESO=C1N(CO)C(O)C(O)N1CO.OCCOCCO
InChIInChI=1S/C5H10N2O5.C4H10O3/c8-1-6-3(10)4(11)7(2-9)5(6)12;5-1-3-7-4-2-6/h3-4,8-11H,1-2H2;5-6H,1-4H2
InChIKeyRDUWTTRJZAFZAU-UHFFFAOYSA-N
XLogP-3.75
TPSA154.16 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.27
LogP ≤ 5-3.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol (CID 170842161) is 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol is O=C1N(CO)C(O)C(O)N1CO.OCCOCCO.
What is the InChIKey of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol?
The InChIKey is RDUWTTRJZAFZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5.C4H10O3/c8-1-6-3(10)4(11)7(2-9)5(6)12;5-1-3-7-4-2-6/h3-4,8-11H,1-2H2;5-6H,1-4H2.
What are the key properties of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol?
4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol has a molecular weight of 284.27 g/mol, XLogP of -3.75, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 170842161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).