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

C34H35Br3F2MgN8O2 — CID 165091710

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

magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (PubChem CID 165091710) has the molecular formula C34H35Br3F2MgN8O2 and a molecular weight of 889.72 g/mol. Its IUPAC name is magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

Molecular Properties

• Compound Name: magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• PubChem CID: 165091710
• Molecular Formula: C34H35Br3F2MgN8O2
• Molecular Weight: 889.72 g/mol
• Exact Mass: 886.03
• IUPAC Name: magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• SMILES: CCn1ncc(Cn2ccnc2-c2ccc(F)cc2C(C)O)c1Br.CCn1ncc(Cn2ccnc2-c2ccc(F)cc2C=O)c1Br.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C17H18BrFN4O.C16H14BrFN4O.CH3.BrH.Mg/c1-3-23-16(18)12(9-21-23)10-22-7-6-20-17(22)14-5-4-13(19)8-15(14)11(2)24;1-2-22-15(17)12(8-20-22)9-21-6-5-19-16(21)14-4-3-13(18)7-11(14)10-23;;;/h4-9,11,24H,3,10H2,1-2H3;3-8,10H,2,9H2,1H3;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: BQZBQXATOJSYEQ-UHFFFAOYSA-M
• XLogP: 4.37
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	889.72
LogP ≤ 5	4.37
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-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

The IUPAC name of magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (CID 165091710) is magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

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

The canonical SMILES for magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is CCn1ncc(Cn2ccnc2-c2ccc(F)cc2C(C)O)c1Br.CCn1ncc(Cn2ccnc2-c2ccc(F)cc2C=O)c1Br.[Br-].[CH3-].[Mg+2].

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

The InChIKey is BQZBQXATOJSYEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18BrFN4O.C16H14BrFN4O.CH3.BrH.Mg/c1-3-23-16(18)12(9-21-23)10-22-7-6-20-17(22)14-5-4-13(19)8-15(14)11(2)24;1-2-22-15(17)12(8-20-22)9-21-6-5-19-16(21)14-4-3-13(18)7-11(14)10-23;;;/h4-9,11,24H,3,10H2,1-2H3;3-8,10H,2,9H2,1H3;1H3;1H;/q;;-1;;+2/p-1.

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

magnesium;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide has a molecular weight of 889.72 g/mol, XLogP of 4.37, 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-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is sourced from PubChem (CID 165091710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).