1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione

C17H24N2O2 — CID 102410178

IUPAC1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)C(c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-16(2,3)18-13(12-10-8-7-9-11-12)14(20)19(15(18)21)17(4,5)6/h7-11,13H,1-6H3
InChIKeyWEMRDQCZJLMMIJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.59
Rot. Bonds1

About 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione

1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione (PubChem CID 102410178) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione
PubChem CID102410178
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)C(c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-16(2,3)18-13(12-10-8-7-9-11-12)14(20)19(15(18)21)17(4,5)6/h7-11,13H,1-6H3
InChIKeyWEMRDQCZJLMMIJ-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione (CID 102410178) is 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione is CC(C)(C)N1C(=O)C(c2ccccc2)N(C(C)(C)C)C1=O.
What is the InChIKey of 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is WEMRDQCZJLMMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2,3)18-13(12-10-8-7-9-11-12)14(20)19(15(18)21)17(4,5)6/h7-11,13H,1-6H3.
What are the key properties of 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione?
1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 288.39 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 102410178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).