1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione

C11H20N2O4 — CID 550650

IUPAC1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(O)CN1C(=O)N(CC(C)O)C(C)(C)C1=O
InChIInChI=1S/C11H20N2O4/c1-7(14)5-12-9(16)11(3,4)13(10(12)17)6-8(2)15/h7-8,14-15H,5-6H2,1-4H3
InChIKeyFQCOFQIGUJZEJO-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.21
Rot. Bonds4

About 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione

1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 550650) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID550650
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(O)CN1C(=O)N(CC(C)O)C(C)(C)C1=O
InChIInChI=1S/C11H20N2O4/c1-7(14)5-12-9(16)11(3,4)13(10(12)17)6-8(2)15/h7-8,14-15H,5-6H2,1-4H3
InChIKeyFQCOFQIGUJZEJO-UHFFFAOYSA-N
XLogP-0.21
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.21
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)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione (CID 550650) is 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione is CC(O)CN1C(=O)N(CC(C)O)C(C)(C)C1=O.
What is the InChIKey of 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FQCOFQIGUJZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(14)5-12-9(16)11(3,4)13(10(12)17)6-8(2)15/h7-8,14-15H,5-6H2,1-4H3.
What are the key properties of 1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
1,3-bis(2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of -0.21, 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)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 550650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).