1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one

C12H15N3O2 — CID 80579090

IUPAC1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCOc2ccccc2N)c1=O
InChIInChI=1S/C12H15N3O2/c1-14-6-7-15(12(14)16)8-9-17-11-5-3-2-4-10(11)13/h2-7H,8-9,13H2,1H3
InChIKeyMAUJAHKFSQYXTL-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.85
Rot. Bonds4

About 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one

1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one (PubChem CID 80579090) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
PubChem CID80579090
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCOc2ccccc2N)c1=O
InChIInChI=1S/C12H15N3O2/c1-14-6-7-15(12(14)16)8-9-17-11-5-3-2-4-10(11)13/h2-7H,8-9,13H2,1H3
InChIKeyMAUJAHKFSQYXTL-UHFFFAOYSA-N
XLogP0.85
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
CID 63799617
2-[2-(3-methyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80582813
1-[3-(2-aminophenoxy)propyl]-4-methylpyrazine-2,3-dione
CID 62928552
1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one
CID 80579728
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579177
2-[2-(3-ethyl-2-oxoimidazol-1-yl)ethoxy]benzohydrazide
CID 80580698
2-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]benzenecarbothioamide
CID 80579353
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one
CID 115943814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one (CID 80579090) is 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one is Cn1ccn(CCOc2ccccc2N)c1=O.
What is the InChIKey of 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one?
The InChIKey is MAUJAHKFSQYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-6-7-15(12(14)16)8-9-17-11-5-3-2-4-10(11)13/h2-7H,8-9,13H2,1H3.
What are the key properties of 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one?
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80579090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).