1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione

C9H14N2O7 — CID 139973024

IUPAC1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CC(O)CO)C(=O)N1CC(O)CO
InChIInChI=1S/C9H14N2O7/c12-3-5(14)1-10-7(16)8(17)11(9(10)18)2-6(15)4-13/h5-6,12-15H,1-4H2
InChIKeyLDAUMLCSHJULEP-UHFFFAOYSA-N
MW262.22 g/mol
LogP-3.52
Rot. Bonds6

About 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione

1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione (PubChem CID 139973024) has the molecular formula C9H14N2O7 and a molecular weight of 262.22 g/mol. Its IUPAC name is 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione
PubChem CID139973024
Molecular FormulaC9H14N2O7
Molecular Weight262.22 g/mol
Exact Mass262.08
IUPAC Name1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CC(O)CO)C(=O)N1CC(O)CO
InChIInChI=1S/C9H14N2O7/c12-3-5(14)1-10-7(16)8(17)11(9(10)18)2-6(15)4-13/h5-6,12-15H,1-4H2
InChIKeyLDAUMLCSHJULEP-UHFFFAOYSA-N
XLogP-3.52
TPSA138.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-3.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione (CID 139973024) is 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(CC(O)CO)C(=O)N1CC(O)CO.
What is the InChIKey of 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione?
The InChIKey is LDAUMLCSHJULEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O7/c12-3-5(14)1-10-7(16)8(17)11(9(10)18)2-6(15)4-13/h5-6,12-15H,1-4H2.
What are the key properties of 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione?
1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione has a molecular weight of 262.22 g/mol, XLogP of -3.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3-dihydroxypropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 139973024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).