1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione

C15H18N3O4+ — CID 7911108

IUPAC1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C[NH+]2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17N3O4/c19-13-14(20)18(11-16-6-8-22-9-7-16)15(21)17(13)10-12-4-2-1-3-5-12/h1-5H,6-11H2/p+1
InChIKeyOLUKSISPLOLBOO-UHFFFAOYSA-O
MW304.33 g/mol
LogP-1.15
Rot. Bonds4

About 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione

1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 7911108) has the molecular formula C15H18N3O4+ and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID7911108
Molecular FormulaC15H18N3O4+
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C[NH+]2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17N3O4/c19-13-14(20)18(11-16-6-8-22-9-7-16)15(21)17(13)10-12-4-2-1-3-5-12/h1-5H,6-11H2/p+1
InChIKeyOLUKSISPLOLBOO-UHFFFAOYSA-O
XLogP-1.15
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
CID 2672005
1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 2575629
(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7479984
4-[(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzonitrile
CID 2398166
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7455616
1-benzyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4,5-trione
CID 7820067
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2540215
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]isoindole-1,3-dione
CID 6922522
5-chloro-2-(morpholin-4-ium-4-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4100090

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione (CID 7911108) is 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(C[NH+]2CCOCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is OLUKSISPLOLBOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N3O4/c19-13-14(20)18(11-16-6-8-22-9-7-16)15(21)17(13)10-12-4-2-1-3-5-12/h1-5H,6-11H2/p+1.
What are the key properties of 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione?
1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 304.33 g/mol, XLogP of -1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 7911108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).