3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione

C12H15N3O2 — CID 135122846

IUPAC3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccccc1N1CC(=O)N(N)C1=O
InChIInChI=1S/C12H15N3O2/c1-8(2)9-5-3-4-6-10(9)14-7-11(16)15(13)12(14)17/h3-6,8H,7,13H2,1-2H3
InChIKeyLVBPZYYKWSPWKY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.45
Rot. Bonds2

About 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione

3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 135122846) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID135122846
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccccc1N1CC(=O)N(N)C1=O
InChIInChI=1S/C12H15N3O2/c1-8(2)9-5-3-4-6-10(9)14-7-11(16)15(13)12(14)17/h3-6,8H,7,13H2,1-2H3
InChIKeyLVBPZYYKWSPWKY-UHFFFAOYSA-N
XLogP1.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione (CID 135122846) is 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione is CC(C)c1ccccc1N1CC(=O)N(N)C1=O.
What is the InChIKey of 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is LVBPZYYKWSPWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)9-5-3-4-6-10(9)14-7-11(16)15(13)12(14)17/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione?
3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 135122846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).