5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C13H16N2O3 — CID 3052153

IUPAC5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-8(2)18-10-6-4-9(5-7-10)13(3)11(16)14-12(17)15-13/h4-8H,1-3H3,(H2,14,15,16,17)
InChIKeyZEJLSDKEZYVKRV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.53
Rot. Bonds3

About 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 3052153) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID3052153
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-8(2)18-10-6-4-9(5-7-10)13(3)11(16)14-12(17)15-13/h4-8H,1-3H3,(H2,14,15,16,17)
InChIKeyZEJLSDKEZYVKRV-UHFFFAOYSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.53
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 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 3052153) is 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CC(C)Oc1ccc(C2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is ZEJLSDKEZYVKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)18-10-6-4-9(5-7-10)13(3)11(16)14-12(17)15-13/h4-8H,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3052153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).