(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione

C14H18N2O2 — CID 2387110

IUPAC(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc([C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(17)15-12(18)16-14/h5-8H,1-4H3,(H2,15,16,17,18)/t14-/m0/s1
InChIKeyJKYLQCKSQSXCHN-AWEZNQCLSA-N
MW246.31 g/mol
LogP2.04
Rot. Bonds1

About (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione

(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2387110) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID2387110
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc([C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(17)15-12(18)16-14/h5-8H,1-4H3,(H2,15,16,17,18)/t14-/m0/s1
InChIKeyJKYLQCKSQSXCHN-AWEZNQCLSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
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 (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione (CID 2387110) is (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione is CC(C)(C)c1ccc([C@]2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JKYLQCKSQSXCHN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-13(2,3)9-5-7-10(8-6-9)14(4)11(17)15-12(18)16-14/h5-8H,1-4H3,(H2,15,16,17,18)/t14-/m0/s1.
What are the key properties of (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2387110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).