1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione

C9H16N2O4 — CID 70461431

IUPAC1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione
SMILESCC(O)CN1CC(=O)N(CC(C)O)C1=O
InChIInChI=1S/C9H16N2O4/c1-6(12)3-10-5-8(14)11(9(10)15)4-7(2)13/h6-7,12-13H,3-5H2,1-2H3
InChIKeyMEGSGKXSNUUXER-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.99
Rot. Bonds4

About 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione

1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione (PubChem CID 70461431) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione
PubChem CID70461431
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione
SMILESCC(O)CN1CC(=O)N(CC(C)O)C1=O
InChIInChI=1S/C9H16N2O4/c1-6(12)3-10-5-8(14)11(9(10)15)4-7(2)13/h6-7,12-13H,3-5H2,1-2H3
InChIKeyMEGSGKXSNUUXER-UHFFFAOYSA-N
XLogP-0.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione (CID 70461431) is 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione is CC(O)CN1CC(=O)N(CC(C)O)C1=O.
What is the InChIKey of 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione?
The InChIKey is MEGSGKXSNUUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)3-10-5-8(14)11(9(10)15)4-7(2)13/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione?
1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione has a molecular weight of 216.24 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70461431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).