3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione

C11H13N3O3 — CID 114007840

IUPAC3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione
SMILESNCCOc1ccccc1N1C(=O)CNC1=O
InChIInChI=1S/C11H13N3O3/c12-5-6-17-9-4-2-1-3-8(9)14-10(15)7-13-11(14)16/h1-4H,5-7,12H2,(H,13,16)
InChIKeyLTKGSUZDXKGVEB-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.08
Rot. Bonds4

About 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione

3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 114007840) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID114007840
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione
SMILESNCCOc1ccccc1N1C(=O)CNC1=O
InChIInChI=1S/C11H13N3O3/c12-5-6-17-9-4-2-1-3-8(9)14-10(15)7-13-11(14)16/h1-4H,5-7,12H2,(H,13,16)
InChIKeyLTKGSUZDXKGVEB-UHFFFAOYSA-N
XLogP0.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
CID 43365663
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
2-[2-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine
CID 79687732
3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
CID 114007858
3-(2,5-difluorophenyl)imidazolidine-2,4-dione
CID 14650513
3-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 103935480
3-(3-bromo-2-methylphenyl)imidazolidine-2,4-dione
CID 107841901
1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 4573481
3-(3-bromoquinolin-8-yl)imidazolidine-2,4-dione
CID 107841893
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
1-(2-butoxyphenyl)piperazin-2-one
CID 70120248

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione (CID 114007840) is 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione is NCCOc1ccccc1N1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is LTKGSUZDXKGVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-5-6-17-9-4-2-1-3-8(9)14-10(15)7-13-11(14)16/h1-4H,5-7,12H2,(H,13,16).
What are the key properties of 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione?
3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 235.24 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 3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 114007840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).