(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione

C18H18N2O2 — CID 40633600

IUPAC(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1
InChIKeyZMZDHUHMXXALFX-SFHVURJKSA-N
MW294.35 g/mol
LogP3.04
Rot. Bonds4

About (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione

(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 40633600) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID40633600
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1
InChIKeyZMZDHUHMXXALFX-SFHVURJKSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.04
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)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 40633600) is (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is ZMZDHUHMXXALFX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1.
What are the key properties of (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 40633600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).