(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione

C16H21N3O2 — CID 2644225

IUPAC(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(N=Cc2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C16H21N3O2/c1-6-16(5)14(20)19(15(21)18-16)17-9-13-11(3)7-10(2)8-12(13)4/h7-9H,6H2,1-5H3,(H,18,21)/t16-/m0/s1
InChIKeyYDDQDTNEKPSZDV-INIZCTEOSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds3

About (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione

(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 2644225) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID2644225
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(N=Cc2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C16H21N3O2/c1-6-16(5)14(20)19(15(21)18-16)17-9-13-11(3)7-10(2)8-12(13)4/h7-9H,6H2,1-5H3,(H,18,21)/t16-/m0/s1
InChIKeyYDDQDTNEKPSZDV-INIZCTEOSA-N
XLogP2.67
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione (CID 2644225) is (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione is CC[C@]1(C)NC(=O)N(N=Cc2c(C)cc(C)cc2C)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is YDDQDTNEKPSZDV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-6-16(5)14(20)19(15(21)18-16)17-9-13-11(3)7-10(2)8-12(13)4/h7-9H,6H2,1-5H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 2644225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).