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

C5H10N2O5 — CID 15824

IUPAC4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one
SMILESO=C1N(CO)C(O)C(O)N1CO
InChIInChI=1S/C5H10N2O5/c8-1-6-3(10)4(11)7(2-9)5(6)12/h3-4,8-11H,1-2H2
InChIKeyZEYUSQVGRCPBPG-UHFFFAOYSA-N
MW178.14 g/mol
LogP-2.74
Rot. Bonds2

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

4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one (PubChem CID 15824) has the molecular formula C5H10N2O5 and a molecular weight of 178.14 g/mol. Its IUPAC name is 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one
PubChem CID15824
Molecular FormulaC5H10N2O5
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one
SMILESO=C1N(CO)C(O)C(O)N1CO
InChIInChI=1S/C5H10N2O5/c8-1-6-3(10)4(11)7(2-9)5(6)12/h3-4,8-11H,1-2H2
InChIKeyZEYUSQVGRCPBPG-UHFFFAOYSA-N
XLogP-2.74
TPSA104.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one (CID 15824) is 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one is O=C1N(CO)C(O)C(O)N1CO.
What is the InChIKey of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one?
The InChIKey is ZEYUSQVGRCPBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5/c8-1-6-3(10)4(11)7(2-9)5(6)12/h3-4,8-11H,1-2H2.
What are the key properties of 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one?
4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one has a molecular weight of 178.14 g/mol, XLogP of -2.74, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 15824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).