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

C14H18N2O3 — CID 2835314

IUPAC5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-9(2)8-19-11-6-4-10(5-7-11)14(3)12(17)15-13(18)16-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeySQBASRXDUFQZDU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.78
Rot. Bonds4

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

5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 2835314) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
PubChem CID2835314
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione
SMILESCC(C)COc1ccc(C2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-9(2)8-19-11-6-4-10(5-7-11)14(3)12(17)15-13(18)16-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeySQBASRXDUFQZDU-UHFFFAOYSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.78
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-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione (CID 2835314) is 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is CC(C)COc1ccc(C2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is SQBASRXDUFQZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)8-19-11-6-4-10(5-7-11)14(3)12(17)15-13(18)16-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione?
5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[4-(2-methylpropoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2835314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).