disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate

C5H10N2Na2O5S — CID 172820340

IUPACdisodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate
SMILESO=S(=O)([O-])[O-].OCCN1C=NCC1.[Na+].[Na+]
InChIInChI=1S/C5H10N2O.2Na.H2O4S/c8-4-3-7-2-1-6-5-7;;;1-5(2,3)4/h5,8H,1-4H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyUDIICMPTKUDXJR-UHFFFAOYSA-L
MW256.19 g/mol
LogP-8.01
Rot. Bonds2

About disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate

disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate (PubChem CID 172820340) has the molecular formula C5H10N2Na2O5S and a molecular weight of 256.19 g/mol. Its IUPAC name is disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate.

Molecular Properties

Compound Namedisodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate
PubChem CID172820340
Molecular FormulaC5H10N2Na2O5S
Molecular Weight256.19 g/mol
Exact Mass256.01
IUPAC Namedisodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate
SMILESO=S(=O)([O-])[O-].OCCN1C=NCC1.[Na+].[Na+]
InChIInChI=1S/C5H10N2O.2Na.H2O4S/c8-4-3-7-2-1-6-5-7;;;1-5(2,3)4/h5,8H,1-4H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyUDIICMPTKUDXJR-UHFFFAOYSA-L
XLogP-8.01
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-8.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate?
The IUPAC name of disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate (CID 172820340) is disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate.
What is the SMILES notation for disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate?
The canonical SMILES for disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate is O=S(=O)([O-])[O-].OCCN1C=NCC1.[Na+].[Na+].
What is the InChIKey of disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate?
The InChIKey is UDIICMPTKUDXJR-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10N2O.2Na.H2O4S/c8-4-3-7-2-1-6-5-7;;;1-5(2,3)4/h5,8H,1-4H2;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate?
disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate has a molecular weight of 256.19 g/mol, XLogP of -8.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(4,5-dihydroimidazol-1-yl)ethanol;sulfate is sourced from PubChem (CID 172820340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).