4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde

C13H14N2O4 — CID 167995684

IUPAC4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCN2CC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O4/c16-9-10-2-4-11(5-3-10)19-7-1-6-15-8-12(17)14-13(15)18/h2-5,9H,1,6-8H2,(H,14,17,18)
InChIKeyPMJSKHZNDHSIAB-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.82
Rot. Bonds6

About 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde

4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde (PubChem CID 167995684) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde.

Molecular Properties

Compound Name4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde
PubChem CID167995684
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCN2CC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O4/c16-9-10-2-4-11(5-3-10)19-7-1-6-15-8-12(17)14-13(15)18/h2-5,9H,1,6-8H2,(H,14,17,18)
InChIKeyPMJSKHZNDHSIAB-UHFFFAOYSA-N
XLogP0.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde?
The IUPAC name of 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde (CID 167995684) is 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde.
What is the SMILES notation for 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde?
The canonical SMILES for 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde is O=Cc1ccc(OCCCN2CC(=O)NC2=O)cc1.
What is the InChIKey of 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde?
The InChIKey is PMJSKHZNDHSIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-9-10-2-4-11(5-3-10)19-7-1-6-15-8-12(17)14-13(15)18/h2-5,9H,1,6-8H2,(H,14,17,18).
What are the key properties of 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde?
4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde has a molecular weight of 262.26 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde is sourced from PubChem (CID 167995684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).