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

C32H27Br3F6MgN8O2 — CID 165071079

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

magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (PubChem CID 165071079) has the molecular formula C32H27Br3F6MgN8O2 and a molecular weight of 933.63 g/mol. Its IUPAC name is magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

Molecular Properties

• Compound Name: magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• PubChem CID: 165071079
• Molecular Formula: C32H27Br3F6MgN8O2
• Molecular Weight: 933.63 g/mol
• Exact Mass: 929.96
• IUPAC Name: magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• SMILES: CC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(C(F)F)c1Br.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(C(F)F)c1Br.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C16H14BrF3N4O.C15H10BrF3N4O.CH3.BrH.Mg/c1-9(25)13-6-11(18)2-3-12(13)15-21-4-5-23(15)8-10-7-22-24(14(10)17)16(19)20;16-13-10(6-21-23(13)15(18)19)7-22-4-3-20-14(22)12-2-1-11(17)5-9(12)8-24;;;/h2-7,9,16,25H,8H2,1H3;1-6,8,15H,7H2;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: XRVDPEMFLRLONU-UHFFFAOYSA-M
• XLogP: 5.12
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.63
LogP ≤ 5	5.12
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-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

The IUPAC name of magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (CID 165071079) is magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

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

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

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

The InChIKey is XRVDPEMFLRLONU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14BrF3N4O.C15H10BrF3N4O.CH3.BrH.Mg/c1-9(25)13-6-11(18)2-3-12(13)15-21-4-5-23(15)8-10-7-22-24(14(10)17)16(19)20;16-13-10(6-21-23(13)15(18)19)7-22-4-3-20-14(22)12-2-1-11(17)5-9(12)8-24;;;/h2-7,9,16,25H,8H2,1H3;1-6,8,15H,7H2;1H3;1H;/q;;-1;;+2/p-1.

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

magnesium;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide has a molecular weight of 933.63 g/mol, XLogP of 5.12, 10 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-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is sourced from PubChem (CID 165071079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).