magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide

C9H9BrMgN2 — CID 88839743

IUPACmagnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(C2CN=CN2)cc1
InChIInChI=1S/C9H9N2.BrH.Mg/c1-2-4-8(5-3-1)9-6-10-7-11-9;;/h2-5,7,9H,6H2,(H,10,11);1H;/q-1;;+2/p-1
InChIKeyJCNNFSFDXWTZGT-UHFFFAOYSA-M
MW249.39 g/mol
LogP-2.22
Rot. Bonds1

About magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide

magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide (PubChem CID 88839743) has the molecular formula C9H9BrMgN2 and a molecular weight of 249.39 g/mol. Its IUPAC name is magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide.

Molecular Properties

Compound Namemagnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide
PubChem CID88839743
Molecular FormulaC9H9BrMgN2
Molecular Weight249.39 g/mol
Exact Mass247.98
IUPAC Namemagnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(C2CN=CN2)cc1
InChIInChI=1S/C9H9N2.BrH.Mg/c1-2-4-8(5-3-1)9-6-10-7-11-9;;/h2-5,7,9H,6H2,(H,10,11);1H;/q-1;;+2/p-1
InChIKeyJCNNFSFDXWTZGT-UHFFFAOYSA-M
XLogP-2.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 5-2.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide?
The IUPAC name of magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide (CID 88839743) is magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide.
What is the SMILES notation for magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide?
The canonical SMILES for magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide is [Br-].[Mg+2].[c-]1ccc(C2CN=CN2)cc1.
What is the InChIKey of magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide?
The InChIKey is JCNNFSFDXWTZGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9N2.BrH.Mg/c1-2-4-8(5-3-1)9-6-10-7-11-9;;/h2-5,7,9H,6H2,(H,10,11);1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide?
magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide has a molecular weight of 249.39 g/mol, XLogP of -2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-phenyl-4,5-dihydro-1H-imidazole;bromide is sourced from PubChem (CID 88839743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).