1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one

C12H15N3O3 — CID 106485198

IUPAC1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one
SMILESNCc1cccc(OCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C12H15N3O3/c13-7-9-2-1-3-10(6-9)18-8-11(16)15-5-4-14-12(15)17/h1-3,6H,4-5,7-8,13H2,(H,14,17)
InChIKeyRUPKAXWVIJDRBB-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.08
Rot. Bonds4

About 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one

1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one (PubChem CID 106485198) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one
PubChem CID106485198
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one
SMILESNCc1cccc(OCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C12H15N3O3/c13-7-9-2-1-3-10(6-9)18-8-11(16)15-5-4-14-12(15)17/h1-3,6H,4-5,7-8,13H2,(H,14,17)
InChIKeyRUPKAXWVIJDRBB-UHFFFAOYSA-N
XLogP0.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dichlorophenoxy)acetyl]imidazolidin-2-one
CID 7467120
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylacetate
CID 7828549
1-[2-(2-bromophenoxy)acetyl]imidazolidin-2-one
CID 9466285
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 8925483
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468721
1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 47056965
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787148
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795699
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 8612963
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 8009631
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844090
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
CID 7783725

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one (CID 106485198) is 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one is NCc1cccc(OCC(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one?
The InChIKey is RUPKAXWVIJDRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-7-9-2-1-3-10(6-9)18-8-11(16)15-5-4-14-12(15)17/h1-3,6H,4-5,7-8,13H2,(H,14,17).
What are the key properties of 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one?
1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one has a molecular weight of 249.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)phenoxy]acetyl]imidazolidin-2-one is sourced from PubChem (CID 106485198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).