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

C38H39Br3F2MgN8O2 — CID 165109033

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

magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (PubChem CID 165109033) has the molecular formula C38H39Br3F2MgN8O2 and a molecular weight of 941.80 g/mol. Its IUPAC name is magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

Molecular Properties

• Compound Name: magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• PubChem CID: 165109033
• Molecular Formula: C38H39Br3F2MgN8O2
• Molecular Weight: 941.80 g/mol
• Exact Mass: 938.06
• IUPAC Name: magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide
• SMILES: CC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(C2CCC2)c1Br.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(C2CCC2)c1Br.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C19H20BrFN4O.C18H16BrFN4O.CH3.BrH.Mg/c1-12(26)17-9-14(21)5-6-16(17)19-22-7-8-24(19)11-13-10-23-25(18(13)20)15-3-2-4-15;19-17-13(9-22-24(17)15-2-1-3-15)10-23-7-6-21-18(23)16-5-4-14(20)8-12(16)11-25;;;/h5-10,12,15,26H,2-4,11H2,1H3;4-9,11,15H,1-3,10H2;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: KGBYQWMVWBSFSS-UHFFFAOYSA-M
• XLogP: 5.78
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.80
LogP ≤ 5	5.78
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-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide?

The IUPAC name of magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide (CID 165109033) is magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide.

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

The canonical SMILES for magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is CC(O)c1cc(F)ccc1-c1nccn1Cc1cnn(C2CCC2)c1Br.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(C2CCC2)c1Br.[Br-].[CH3-].[Mg+2].

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

The InChIKey is KGBYQWMVWBSFSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20BrFN4O.C18H16BrFN4O.CH3.BrH.Mg/c1-12(26)17-9-14(21)5-6-16(17)19-22-7-8-24(19)11-13-10-23-25(18(13)20)15-3-2-4-15;19-17-13(9-22-24(17)15-2-1-3-15)10-23-7-6-21-18(23)16-5-4-14(20)8-12(16)11-25;;;/h5-10,12,15,26H,2-4,11H2,1H3;4-9,11,15H,1-3,10H2;1H3;1H;/q;;-1;;+2/p-1.

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

magnesium;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide has a molecular weight of 941.80 g/mol, XLogP of 5.78, 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-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;1-[2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorophenyl]ethanol;carbanide;bromide is sourced from PubChem (CID 165109033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).