4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one

C6H10N2O2 — CID 175925676

IUPAC4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one
SMILES[2H]c1c([2H])n(CCO)c(=O)n1C
InChIInChI=1S/C6H10N2O2/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3/i2D,3D
InChIKeyNAQREACYTYFXMF-PBNXXWCMSA-N
MW144.17 g/mol
LogP-0.82
Rot. Bonds2

About 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one

4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one (PubChem CID 175925676) has the molecular formula C6H10N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one
PubChem CID175925676
Molecular FormulaC6H10N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one
SMILES[2H]c1c([2H])n(CCO)c(=O)n1C
InChIInChI=1S/C6H10N2O2/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3/i2D,3D
InChIKeyNAQREACYTYFXMF-PBNXXWCMSA-N
XLogP-0.82
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxyethyl-1-vinylimidazole
CID 57070894
1-(2-Hydroxyethyl)-3-methylimidazole
CID 57351561
1-(3-fluoro-2-hydroxypropyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CID 165595262
1-ethyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165595567
1-Methyl-3-hydroxymethyl-4-imidazolin-2-one
CID 14245714
1-Ethenyl-3-ethyl-4,5-dihydroxyimidazolidin-2-one
CID 20228041
1-(2-Hydroxyethyl)-1,3-dimethylimidazol-1-ium-2-one
CID 20262694
2H-Imidazol-2-one, 1,3-dihydro-1-(2-hydroxyethyl)-
CID 21843654
1-Ethyl-4-hydroxy-3-methylimidazol-2-one
CID 53688883
4-Hydroxy-3-(hydroxymethyl)-1-methylimidazol-2-one
CID 53711142
3-Ethyl-4-hydroxy-1-(hydroxymethyl)imidazol-2-one
CID 53746911
4-Hydroxy-1,3-bis(1-hydroxyethyl)imidazol-2-one
CID 53897201

Frequently Asked Questions

What is the IUPAC name of 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one?
The IUPAC name of 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one (CID 175925676) is 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one?
The canonical SMILES for 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one is [2H]c1c([2H])n(CCO)c(=O)n1C.
What is the InChIKey of 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one?
The InChIKey is NAQREACYTYFXMF-PBNXXWCMSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7-2-3-8(4-5-9)6(7)10/h2-3,9H,4-5H2,1H3/i2D,3D.
What are the key properties of 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one?
4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 175925676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).