3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C12H15N3O2 — CID 4962270

IUPAC3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(CCc2ccccc2)NC(=O)N(N)C1=O
InChIInChI=1S/C12H15N3O2/c1-12(10(16)15(13)11(17)14-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8,13H2,1H3,(H,14,17)
InChIKeyUIXKYGNLIVLFHM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.80
Rot. Bonds3

About 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 4962270) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID4962270
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(CCc2ccccc2)NC(=O)N(N)C1=O
InChIInChI=1S/C12H15N3O2/c1-12(10(16)15(13)11(17)14-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8,13H2,1H3,(H,14,17)
InChIKeyUIXKYGNLIVLFHM-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
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-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 4962270) is 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is CC1(CCc2ccccc2)NC(=O)N(N)C1=O.
What is the InChIKey of 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is UIXKYGNLIVLFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(10(16)15(13)11(17)14-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4962270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).