magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide

C34H31Br3F6MgN8O2 — CID 165064042

About magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide

magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (PubChem CID 165064042) has the molecular formula C34H31Br3F6MgN8O2 and a molecular weight of 961.68 g/mol. Its IUPAC name is magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

Molecular Properties

• Compound Name: magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• PubChem CID: 165064042
• Molecular Formula: C34H31Br3F6MgN8O2
• Molecular Weight: 961.68 g/mol
• Exact Mass: 957.99
• IUPAC Name: magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• SMILES: CC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C17H16BrF3N4O.C16H12BrF3N4O.CH3.BrH.Mg/c1-10(26)14-6-12(19)2-3-13(14)17-22-4-5-24(17)8-11-7-23-25(16(11)18)9-15(20)21;17-15-11(6-22-24(15)8-14(19)20)7-23-4-3-21-16(23)13-2-1-12(18)5-10(13)9-25;;;/h2-7,10,15,26H,8-9H2,1H3;1-6,9,14H,7-8H2;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: MDJJAZDYZLPUER-UHFFFAOYSA-M
• XLogP: 4.86
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	961.68
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

The IUPAC name of magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (CID 165064042) is magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

What is the SMILES notation for magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

The canonical SMILES for magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is CC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

The InChIKey is MDJJAZDYZLPUER-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16BrF3N4O.C16H12BrF3N4O.CH3.BrH.Mg/c1-10(26)14-6-12(19)2-3-13(14)17-22-4-5-24(17)8-11-7-23-25(16(11)18)9-15(20)21;17-15-11(6-22-24(15)8-14(19)20)7-23-4-3-21-16(23)13-2-1-12(18)5-10(13)9-25;;;/h2-7,10,15,26H,8-9H2,1H3;1-6,9,14H,7-8H2;1H3;1H;/q;;-1;;+2/p-1.

What are the key properties of magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide has a molecular weight of 961.68 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is sourced from PubChem (CID 165064042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).