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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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).