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

C8H14N2O2 — CID 80581216

IUPAC1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCO)c1=O
InChIInChI=1S/C8H14N2O2/c1-7(2)10-4-3-9(5-6-11)8(10)12/h3-4,7,11H,5-6H2,1-2H3
InChIKeyDZVMJHSTTXUFRA-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.22
Rot. Bonds3

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

1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80581216) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one
PubChem CID80581216
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCO)c1=O
InChIInChI=1S/C8H14N2O2/c1-7(2)10-4-3-9(5-6-11)8(10)12/h3-4,7,11H,5-6H2,1-2H3
InChIKeyDZVMJHSTTXUFRA-UHFFFAOYSA-N
XLogP0.22
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165595567
1-(3-fluoro-2-hydroxypropyl)-3-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 165595894
1-cyclopropyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165600794
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(2-hydroxyethyl)imidazol-2-one
CID 54199826
3-(2-Ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one
CID 54549563
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-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
4-Hydroxy-1-methyl-3-propan-2-ylimidazol-2-one
CID 91592302

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one (CID 80581216) is 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCO)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is DZVMJHSTTXUFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(2)10-4-3-9(5-6-11)8(10)12/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one?
1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80581216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).