1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione

C11H13N3O2 — CID 83822076

IUPAC1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione
SMILESNCCc1cccc(N2CC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O2/c12-5-4-8-2-1-3-9(6-8)14-7-10(15)13-11(14)16/h1-3,6H,4-5,7,12H2,(H,13,15,16)
InChIKeyFSHDWZYGTFKKKH-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.24
Rot. Bonds3

About 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione

1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 83822076) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione
PubChem CID83822076
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione
SMILESNCCc1cccc(N2CC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O2/c12-5-4-8-2-1-3-9(6-8)14-7-10(15)13-11(14)16/h1-3,6H,4-5,7,12H2,(H,13,15,16)
InChIKeyFSHDWZYGTFKKKH-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione (CID 83822076) is 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione is NCCc1cccc(N2CC(=O)NC2=O)c1.
What is the InChIKey of 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is FSHDWZYGTFKKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-4-8-2-1-3-9(6-8)14-7-10(15)13-11(14)16/h1-3,6H,4-5,7,12H2,(H,13,15,16).
What are the key properties of 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione?
1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 83822076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).