4,5-bis(hydroxymethyl)imidazolidin-2-one

C5H10N2O3 — CID 22042054

IUPAC4,5-bis(hydroxymethyl)imidazolidin-2-one
SMILESO=C1NC(CO)C(CO)N1
InChIInChI=1S/C5H10N2O3/c8-1-3-4(2-9)7-5(10)6-3/h3-4,8-9H,1-2H2,(H2,6,7,10)
InChIKeyOUIAOHVTUPLEKA-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.98
Rot. Bonds2

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

4,5-bis(hydroxymethyl)imidazolidin-2-one (PubChem CID 22042054) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)imidazolidin-2-one
PubChem CID22042054
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name4,5-bis(hydroxymethyl)imidazolidin-2-one
SMILESO=C1NC(CO)C(CO)N1
InChIInChI=1S/C5H10N2O3/c8-1-3-4(2-9)7-5(10)6-3/h3-4,8-9H,1-2H2,(H2,6,7,10)
InChIKeyOUIAOHVTUPLEKA-UHFFFAOYSA-N
XLogP-1.98
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of 4,5-bis(hydroxymethyl)imidazolidin-2-one (CID 22042054) is 4,5-bis(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-bis(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for 4,5-bis(hydroxymethyl)imidazolidin-2-one is O=C1NC(CO)C(CO)N1.
What is the InChIKey of 4,5-bis(hydroxymethyl)imidazolidin-2-one?
The InChIKey is OUIAOHVTUPLEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c8-1-3-4(2-9)7-5(10)6-3/h3-4,8-9H,1-2H2,(H2,6,7,10).
What are the key properties of 4,5-bis(hydroxymethyl)imidazolidin-2-one?
4,5-bis(hydroxymethyl)imidazolidin-2-one has a molecular weight of 146.15 g/mol, XLogP of -1.98, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 22042054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).