1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one

C13H19N3O2 — CID 117376617

IUPAC1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one
SMILESCNCC(O)c1ccccc1N1CCN(C)C1=O
InChIInChI=1S/C13H19N3O2/c1-14-9-12(17)10-5-3-4-6-11(10)16-8-7-15(2)13(16)18/h3-6,12,14,17H,7-9H2,1-2H3
InChIKeyUQAUNPXKFXKQGW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.81
Rot. Bonds4

About 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one

1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one (PubChem CID 117376617) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one
PubChem CID117376617
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one
SMILESCNCC(O)c1ccccc1N1CCN(C)C1=O
InChIInChI=1S/C13H19N3O2/c1-14-9-12(17)10-5-3-4-6-11(10)16-8-7-15(2)13(16)18/h3-6,12,14,17H,7-9H2,1-2H3
InChIKeyUQAUNPXKFXKQGW-UHFFFAOYSA-N
XLogP0.81
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one (CID 117376617) is 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one is CNCC(O)c1ccccc1N1CCN(C)C1=O.
What is the InChIKey of 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is UQAUNPXKFXKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-9-12(17)10-5-3-4-6-11(10)16-8-7-15(2)13(16)18/h3-6,12,14,17H,7-9H2,1-2H3.
What are the key properties of 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one?
1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 117376617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).