5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole

C16H18N4O3 — CID 67286022

IUPAC5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O.Cn1ccnc1
InChIInChI=1S/C12H12N2O3.C4H6N2/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-6-3-2-5-4-6/h3-7H,2H2,1H3,(H2,13,14,15,16,17);2-4H,1H3
InChIKeyRNEHGOLAOMVJCR-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.12
Rot. Bonds2

About 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole

5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole (PubChem CID 67286022) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole.

Molecular Properties

Compound Name5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole
PubChem CID67286022
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O.Cn1ccnc1
InChIInChI=1S/C12H12N2O3.C4H6N2/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-6-3-2-5-4-6/h3-7H,2H2,1H3,(H2,13,14,15,16,17);2-4H,1H3
InChIKeyRNEHGOLAOMVJCR-UHFFFAOYSA-N
XLogP1.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole?
The IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole (CID 67286022) is 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole.
What is the SMILES notation for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole?
The canonical SMILES for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole is CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.Cn1ccnc1.
What is the InChIKey of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole?
The InChIKey is RNEHGOLAOMVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.C4H6N2/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-6-3-2-5-4-6/h3-7H,2H2,1H3,(H2,13,14,15,16,17);2-4H,1H3.
What are the key properties of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole?
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole has a molecular weight of 314.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-methylimidazole is sourced from PubChem (CID 67286022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).