1,5-bis(hydroxymethyl)imidazolidine-2,4-dione

C5H8N2O4 — CID 22314728

IUPAC1,5-bis(hydroxymethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(CO)C1CO
InChIInChI=1S/C5H8N2O4/c8-1-3-4(10)6-5(11)7(3)2-9/h3,8-9H,1-2H2,(H,6,10,11)
InChIKeyCHRJGPQWBRVNCO-UHFFFAOYSA-N
MW160.13 g/mol
LogP-2.15
Rot. Bonds2

About 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione

1,5-bis(hydroxymethyl)imidazolidine-2,4-dione (PubChem CID 22314728) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-bis(hydroxymethyl)imidazolidine-2,4-dione
PubChem CID22314728
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name1,5-bis(hydroxymethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(CO)C1CO
InChIInChI=1S/C5H8N2O4/c8-1-3-4(10)6-5(11)7(3)2-9/h3,8-9H,1-2H2,(H,6,10,11)
InChIKeyCHRJGPQWBRVNCO-UHFFFAOYSA-N
XLogP-2.15
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
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 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione (CID 22314728) is 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione is O=C1NC(=O)N(CO)C1CO.
What is the InChIKey of 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione?
The InChIKey is CHRJGPQWBRVNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c8-1-3-4(10)6-5(11)7(3)2-9/h3,8-9H,1-2H2,(H,6,10,11).
What are the key properties of 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione?
1,5-bis(hydroxymethyl)imidazolidine-2,4-dione has a molecular weight of 160.13 g/mol, XLogP of -2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(hydroxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22314728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).