sodium;1-ethoxy-4,5-dihydroimidazole;hydride

C5H11N2NaO — CID 174513467

IUPACsodium;1-ethoxy-4,5-dihydroimidazole;hydride
SMILESCCON1C=NCC1.[H-].[Na+]
InChIInChI=1S/C5H10N2O.Na.H/c1-2-8-7-4-3-6-5-7;;/h5H,2-4H2,1H3;;/q;+1;-1
InChIKeyVFAHIXINZDQFRM-UHFFFAOYSA-N
MW138.15 g/mol
LogP-2.60
Rot. Bonds2

About sodium;1-ethoxy-4,5-dihydroimidazole;hydride

sodium;1-ethoxy-4,5-dihydroimidazole;hydride (PubChem CID 174513467) has the molecular formula C5H11N2NaO and a molecular weight of 138.15 g/mol. Its IUPAC name is sodium;1-ethoxy-4,5-dihydroimidazole;hydride.

Molecular Properties

Compound Namesodium;1-ethoxy-4,5-dihydroimidazole;hydride
PubChem CID174513467
Molecular FormulaC5H11N2NaO
Molecular Weight138.15 g/mol
Exact Mass138.08
IUPAC Namesodium;1-ethoxy-4,5-dihydroimidazole;hydride
SMILESCCON1C=NCC1.[H-].[Na+]
InChIInChI=1S/C5H10N2O.Na.H/c1-2-8-7-4-3-6-5-7;;/h5H,2-4H2,1H3;;/q;+1;-1
InChIKeyVFAHIXINZDQFRM-UHFFFAOYSA-N
XLogP-2.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;1-ethoxy-4,5-dihydroimidazole;hydride?
The IUPAC name of sodium;1-ethoxy-4,5-dihydroimidazole;hydride (CID 174513467) is sodium;1-ethoxy-4,5-dihydroimidazole;hydride.
What is the SMILES notation for sodium;1-ethoxy-4,5-dihydroimidazole;hydride?
The canonical SMILES for sodium;1-ethoxy-4,5-dihydroimidazole;hydride is CCON1C=NCC1.[H-].[Na+].
What is the InChIKey of sodium;1-ethoxy-4,5-dihydroimidazole;hydride?
The InChIKey is VFAHIXINZDQFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.Na.H/c1-2-8-7-4-3-6-5-7;;/h5H,2-4H2,1H3;;/q;+1;-1.
What are the key properties of sodium;1-ethoxy-4,5-dihydroimidazole;hydride?
sodium;1-ethoxy-4,5-dihydroimidazole;hydride has a molecular weight of 138.15 g/mol, XLogP of -2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-ethoxy-4,5-dihydroimidazole;hydride is sourced from PubChem (CID 174513467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).