magnesium;1-bromo-4,5-dihydroimidazole;hydride

C3H7BrMgN2 — CID 173465260

IUPACmagnesium;1-bromo-4,5-dihydroimidazole;hydride
SMILESBrN1C=NCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H5BrN2.Mg.2H/c4-6-2-1-5-3-6;;;/h3H,1-2H2;;;/q;+2;2*-1
InChIKeyFDGQMRQRRYPSSM-UHFFFAOYSA-N
MW175.31 g/mol
LogP0.48
Rot. Bonds

About magnesium;1-bromo-4,5-dihydroimidazole;hydride

magnesium;1-bromo-4,5-dihydroimidazole;hydride (PubChem CID 173465260) has the molecular formula C3H7BrMgN2 and a molecular weight of 175.31 g/mol. Its IUPAC name is magnesium;1-bromo-4,5-dihydroimidazole;hydride.

Molecular Properties

Compound Namemagnesium;1-bromo-4,5-dihydroimidazole;hydride
PubChem CID173465260
Molecular FormulaC3H7BrMgN2
Molecular Weight175.31 g/mol
Exact Mass173.96
IUPAC Namemagnesium;1-bromo-4,5-dihydroimidazole;hydride
SMILESBrN1C=NCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C3H5BrN2.Mg.2H/c4-6-2-1-5-3-6;;;/h3H,1-2H2;;;/q;+2;2*-1
InChIKeyFDGQMRQRRYPSSM-UHFFFAOYSA-N
XLogP0.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.31
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-bromo-4,5-dihydroimidazole;hydride?
The IUPAC name of magnesium;1-bromo-4,5-dihydroimidazole;hydride (CID 173465260) is magnesium;1-bromo-4,5-dihydroimidazole;hydride.
What is the SMILES notation for magnesium;1-bromo-4,5-dihydroimidazole;hydride?
The canonical SMILES for magnesium;1-bromo-4,5-dihydroimidazole;hydride is BrN1C=NCC1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-bromo-4,5-dihydroimidazole;hydride?
The InChIKey is FDGQMRQRRYPSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrN2.Mg.2H/c4-6-2-1-5-3-6;;;/h3H,1-2H2;;;/q;+2;2*-1.
What are the key properties of magnesium;1-bromo-4,5-dihydroimidazole;hydride?
magnesium;1-bromo-4,5-dihydroimidazole;hydride has a molecular weight of 175.31 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-bromo-4,5-dihydroimidazole;hydride is sourced from PubChem (CID 173465260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).