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

C34H33Br3F4MgN8O2 — CID 165036900

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

magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (PubChem CID 165036900) has the molecular formula C34H33Br3F4MgN8O2 and a molecular weight of 925.70 g/mol. Its IUPAC name is magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

Molecular Properties

• Compound Name: magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• PubChem CID: 165036900
• Molecular Formula: C34H33Br3F4MgN8O2
• Molecular Weight: 925.70 g/mol
• Exact Mass: 922.01
• IUPAC Name: magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• SMILES: CC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(CCF)c1Br.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(CCF)c1Br.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C17H17BrF2N4O.C16H13BrF2N4O.CH3.BrH.Mg/c1-11(25)15-8-13(20)2-3-14(15)17-21-5-7-23(17)10-12-9-22-24(6-4-19)16(12)18;17-15-12(8-21-23(15)5-3-18)9-22-6-4-20-16(22)14-2-1-13(19)7-11(14)10-24;;;/h2-3,5,7-9,11,25H,4,6,10H2,1H3;1-2,4,6-8,10H,3,5,9H2;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: WWEBVYXYMRJEPZ-UHFFFAOYSA-M
• XLogP: 4.27
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	925.70
LogP ≤ 5	4.27
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-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

The IUPAC name of magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (CID 165036900) is magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)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-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

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

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

The InChIKey is WWEBVYXYMRJEPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17BrF2N4O.C16H13BrF2N4O.CH3.BrH.Mg/c1-11(25)15-8-13(20)2-3-14(15)17-21-5-7-23(17)10-12-9-22-24(6-4-19)16(12)18;17-15-12(8-21-23(15)5-3-18)9-22-6-4-20-16(22)14-2-1-13(19)7-11(14)10-24;;;/h2-3,5,7-9,11,25H,4,6,10H2,1H3;1-2,4,6-8,10H,3,5,9H2;1H3;1H;/q;;-1;;+2/p-1.

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

magnesium;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide has a molecular weight of 925.70 g/mol, XLogP of 4.27, 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-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is sourced from PubChem (CID 165036900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).