5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione

C22H26N3O3+ — CID 2672005

IUPAC5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[NH+]1CCOCC1
InChIInChI=1S/C22H25N3O3/c26-20-22(15-18-7-3-1-4-8-18,16-19-9-5-2-6-10-19)23-21(27)25(20)17-24-11-13-28-14-12-24/h1-10H,11-17H2,(H,23,27)/p+1
InChIKeyUMEGAPLCWCSBDO-UHFFFAOYSA-O
MW380.47 g/mol
LogP0.63
Rot. Bonds6

About 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione

5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 2672005) has the molecular formula C22H26N3O3+ and a molecular weight of 380.47 g/mol. Its IUPAC name is 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID2672005
Molecular FormulaC22H26N3O3+
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[NH+]1CCOCC1
InChIInChI=1S/C22H25N3O3/c26-20-22(15-18-7-3-1-4-8-18,16-19-9-5-2-6-10-19)23-21(27)25(20)17-24-11-13-28-14-12-24/h1-10H,11-17H2,(H,23,27)/p+1
InChIKeyUMEGAPLCWCSBDO-UHFFFAOYSA-O
XLogP0.63
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7479984
1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione
CID 7911108
2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2115786
5,5-dibenzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 4882223
3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7480002
5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione
CID 17394454
3-benzyl-5,5-diethylimidazolidine-2,4-dione
CID 7181081
3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7911122
(5R)-5-methyl-5-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 2641564
(5S)-5-methyl-5-(2-phenylethyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 7911306
5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
CID 17399817

Frequently Asked Questions

What is the IUPAC name of 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione (CID 2672005) is 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[NH+]1CCOCC1.
What is the InChIKey of 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is UMEGAPLCWCSBDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N3O3/c26-20-22(15-18-7-3-1-4-8-18,16-19-9-5-2-6-10-19)23-21(27)25(20)17-24-11-13-28-14-12-24/h1-10H,11-17H2,(H,23,27)/p+1.
What are the key properties of 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione?
5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 380.47 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2672005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).