(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione

C12H14N2O3 — CID 40572060

IUPAC(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(O)cc2)NC(=O)N(C)C1=O
InChIInChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKeyOQPLORUDZLXXPD-LBPRGKRZSA-N
MW234.25 g/mol
LogP1.18
Rot. Bonds2

About (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione

(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione (PubChem CID 40572060) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
PubChem CID40572060
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(O)cc2)NC(=O)N(C)C1=O
InChIInChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKeyOQPLORUDZLXXPD-LBPRGKRZSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.18
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 (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione (CID 40572060) is (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione is CC[C@@]1(c2ccc(O)cc2)NC(=O)N(C)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione?
The InChIKey is OQPLORUDZLXXPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/t12-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione?
(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40572060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).