3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione

C15H20N2O3 — CID 3077548

IUPAC3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc(C2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-20-12-7-5-11(6-8-12)15(3)13(18)17(4)14(19)16-15/h5-8,10H,9H2,1-4H3,(H,16,19)
InChIKeyFFXGSANWXGHEMO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.12
Rot. Bonds4

About 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione

3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 3077548) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
PubChem CID3077548
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc(C2(C)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-20-12-7-5-11(6-8-12)15(3)13(18)17(4)14(19)16-15/h5-8,10H,9H2,1-4H3,(H,16,19)
InChIKeyFFXGSANWXGHEMO-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (CID 3077548) is 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is CC(C)COc1ccc(C2(C)NC(=O)N(C)C2=O)cc1.
What is the InChIKey of 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is FFXGSANWXGHEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)9-20-12-7-5-11(6-8-12)15(3)13(18)17(4)14(19)16-15/h5-8,10H,9H2,1-4H3,(H,16,19).
What are the key properties of 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3077548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).