4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one

C8H14N2O3 — CID 91091137

IUPAC4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
SMILESCC(C)n1cc(O)n(CCO)c1=O
InChIInChI=1S/C8H14N2O3/c1-6(2)10-5-7(12)9(3-4-11)8(10)13/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNRKMXCXPFZUREY-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.07
Rot. Bonds3

About 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one

4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one (PubChem CID 91091137) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
PubChem CID91091137
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
SMILESCC(C)n1cc(O)n(CCO)c1=O
InChIInChI=1S/C8H14N2O3/c1-6(2)10-5-7(12)9(3-4-11)8(10)13/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNRKMXCXPFZUREY-UHFFFAOYSA-N
XLogP-0.07
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-2-hydroxypropyl)-3-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 165595894
1-(2-Hydroxyethyl)-1,3-dimethylimidazol-1-ium-2-one
CID 20262694
4-Hydroxy-3-methyl-1-propan-2-ylimidazol-2-one
CID 53868928
4-Hydroxy-1,3-bis(1-hydroxyethyl)imidazol-2-one
CID 53897201
4-Hydroxy-1,3-bis(2-hydroxyethyl)imidazol-2-one
CID 54199826
1,3-Bis(2-hydroxyethyl)imidazol-2-one
CID 69117995
1,3-Bis(1-hydroxyethyl)imidazol-2-one
CID 69336359
1-(2-Hydroxyethyl)-3-methylimidazol-2-one
CID 69453594
4-Hydroxy-1-(2-methoxyethyl)-3-methylimidazol-2-one
CID 91012978
4-Hydroxy-1-methyl-3-propan-2-ylimidazol-2-one
CID 91592302
1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
CID 137411210
4,5-Dideuterio-1-(2-hydroxyethyl)-3-methylimidazol-2-one
CID 175925676

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one (CID 91091137) is 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one is CC(C)n1cc(O)n(CCO)c1=O.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one?
The InChIKey is NRKMXCXPFZUREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(2)10-5-7(12)9(3-4-11)8(10)13/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one?
4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one has a molecular weight of 186.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one is sourced from PubChem (CID 91091137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).