4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one

C7H12N2O4 — CID 54199826

IUPAC4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one
SMILESO=c1n(CCO)cc(O)n1CCO
InChIInChI=1S/C7H12N2O4/c10-3-1-8-5-6(12)9(2-4-11)7(8)13/h5,10-12H,1-4H2
InChIKeyPOLAJVXTOFIAEH-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.66
Rot. Bonds4

About 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one

4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one (PubChem CID 54199826) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one
PubChem CID54199826
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one
SMILESO=c1n(CCO)cc(O)n1CCO
InChIInChI=1S/C7H12N2O4/c10-3-1-8-5-6(12)9(2-4-11)7(8)13/h5,10-12H,1-4H2
InChIKeyPOLAJVXTOFIAEH-UHFFFAOYSA-N
XLogP-1.66
TPSA87.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one?
The IUPAC name of 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one (CID 54199826) is 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one.
What is the SMILES notation for 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one?
The canonical SMILES for 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one is O=c1n(CCO)cc(O)n1CCO.
What is the InChIKey of 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one?
The InChIKey is POLAJVXTOFIAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-3-1-8-5-6(12)9(2-4-11)7(8)13/h5,10-12H,1-4H2.
What are the key properties of 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one?
4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one has a molecular weight of 188.18 g/mol, XLogP of -1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one is sourced from PubChem (CID 54199826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).