3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione

C11H13N3O2 — CID 107841916

IUPAC3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione
SMILESCC(c1ccccc1N)N1C(=O)CNC1=O
InChIInChI=1S/C11H13N3O2/c1-7(8-4-2-3-5-9(8)12)14-10(15)6-13-11(14)16/h2-5,7H,6,12H2,1H3,(H,13,16)
InChIKeyTYTFDRQPHORSNN-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.88
Rot. Bonds2

About 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione

3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 107841916) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione
PubChem CID107841916
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione
SMILESCC(c1ccccc1N)N1C(=O)CNC1=O
InChIInChI=1S/C11H13N3O2/c1-7(8-4-2-3-5-9(8)12)14-10(15)6-13-11(14)16/h2-5,7H,6,12H2,1H3,(H,13,16)
InChIKeyTYTFDRQPHORSNN-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 57415940
3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
CID 7026092
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
1-(2-propan-2-ylphenyl)piperazine-2,5-dione
CID 64955597
2-[1-(1,2,4-triazol-4-yl)ethyl]aniline
CID 62677379
3-[furan-2-yl-(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 154799729
1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370677
3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 103936543
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
(2S,3S)-3-(2-aminophenyl)butan-2-ol
CID 131028904
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 58860770

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione (CID 107841916) is 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione is CC(c1ccccc1N)N1C(=O)CNC1=O.
What is the InChIKey of 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is TYTFDRQPHORSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(8-4-2-3-5-9(8)12)14-10(15)6-13-11(14)16/h2-5,7H,6,12H2,1H3,(H,13,16).
What are the key properties of 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione?
3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 107841916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).