(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one

C12H16N2O2 — CID 71206687

IUPAC(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one
SMILESCC[C@@]1(c2ccc(O)cc2)NCN(C)C1=O
InChIInChI=1S/C12H16N2O2/c1-3-12(11(16)14(2)8-13-12)9-4-6-10(15)7-5-9/h4-7,13,15H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyJSZJJZVXJDEOPH-LBPRGKRZSA-N
MW220.27 g/mol
LogP1.02
Rot. Bonds2

About (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one

(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one (PubChem CID 71206687) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one
PubChem CID71206687
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one
SMILESCC[C@@]1(c2ccc(O)cc2)NCN(C)C1=O
InChIInChI=1S/C12H16N2O2/c1-3-12(11(16)14(2)8-13-12)9-4-6-10(15)7-5-9/h4-7,13,15H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyJSZJJZVXJDEOPH-LBPRGKRZSA-N
XLogP1.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one?
The IUPAC name of (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one (CID 71206687) is (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one?
The canonical SMILES for (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one is CC[C@@]1(c2ccc(O)cc2)NCN(C)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one?
The InChIKey is JSZJJZVXJDEOPH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-12(11(16)14(2)8-13-12)9-4-6-10(15)7-5-9/h4-7,13,15H,3,8H2,1-2H3/t12-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one?
(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.02, 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-methylimidazolidin-4-one is sourced from PubChem (CID 71206687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).