(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione

C12H14N2O2 — CID 45095321

IUPAC(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)C(=O)NC(=O)N1C
InChIInChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16)/t12-/m0/s1
InChIKeyNEGMMKYAVYNLCG-LBPRGKRZSA-N
MW218.26 g/mol
LogP1.47
Rot. Bonds2

About (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione

(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 45095321) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID45095321
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)C(=O)NC(=O)N1C
InChIInChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16)/t12-/m0/s1
InChIKeyNEGMMKYAVYNLCG-LBPRGKRZSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
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-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione (CID 45095321) is (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)C(=O)NC(=O)N1C.
What is the InChIKey of (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is NEGMMKYAVYNLCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16)/t12-/m0/s1.
What are the key properties of (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 45095321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).