bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum

C14H24N4O5Pt+2 — CID 50897475

IUPACbis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum
SMILESCCn1ccnc1.CCn1ccnc1.O=C([OH2+])CC(O)C(=O)[OH2+].[Pt]
InChIInChI=1S/2C5H8N2.C4H6O5.Pt/c2*1-2-7-4-3-6-5-7;5-2(4(8)9)1-3(6)7;/h2*3-5H,2H2,1H3;2,5H,1H2,(H,6,7)(H,8,9);/p+2
InChIKeyJZEIHWXWGSFITM-UHFFFAOYSA-P
MW523.45 g/mol
LogP-0.96
Rot. Bonds5

About bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum

bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum (PubChem CID 50897475) has the molecular formula C14H24N4O5Pt+2 and a molecular weight of 523.45 g/mol. Its IUPAC name is bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum.

Molecular Properties

Compound Namebis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum
PubChem CID50897475
Molecular FormulaC14H24N4O5Pt+2
Molecular Weight523.45 g/mol
Exact Mass523.14
IUPAC Namebis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum
SMILESCCn1ccnc1.CCn1ccnc1.O=C([OH2+])CC(O)C(=O)[OH2+].[Pt]
InChIInChI=1S/2C5H8N2.C4H6O5.Pt/c2*1-2-7-4-3-6-5-7;5-2(4(8)9)1-3(6)7;/h2*3-5H,2H2,1H3;2,5H,1H2,(H,6,7)(H,8,9);/p+2
InChIKeyJZEIHWXWGSFITM-UHFFFAOYSA-P
XLogP-0.96
TPSA135.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.45
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695
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CID 173327327
1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid
CID 171923668
cobalt(2+);tetrakis(1-ethylimidazole);diisothiocyanate
CID 139070623
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
6-imidazol-1-ylhexan-3-ol
CID 106802503
1-(2-methylbutyl)imidazole
CID 59161437
1-butylimidazole;1-ethylimidazole;1-propylimidazole
CID 143151765

Frequently Asked Questions

What is the IUPAC name of bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum?
The IUPAC name of bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum (CID 50897475) is bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum.
What is the SMILES notation for bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum?
The canonical SMILES for bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum is CCn1ccnc1.CCn1ccnc1.O=C([OH2+])CC(O)C(=O)[OH2+].[Pt].
What is the InChIKey of bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum?
The InChIKey is JZEIHWXWGSFITM-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H8N2.C4H6O5.Pt/c2*1-2-7-4-3-6-5-7;5-2(4(8)9)1-3(6)7;/h2*3-5H,2H2,1H3;2,5H,1H2,(H,6,7)(H,8,9);/p+2.
What are the key properties of bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum?
bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum has a molecular weight of 523.45 g/mol, XLogP of -0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylimidazole);(2-hydroxy-3-oxoniocarbonylpropanoyl)oxidanium;platinum is sourced from PubChem (CID 50897475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).