1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane

C50H67Br2F2IN8O2Sn — CID 164947019

About 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane

1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane (PubChem CID 164947019) has the molecular formula C50H67Br2F2IN8O2Sn and a molecular weight of 1255.56 g/mol. Its IUPAC name is 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

• Compound Name: 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
• PubChem CID: 164947019
• Molecular Formula: C50H67Br2F2IN8O2Sn
• Molecular Weight: 1255.56 g/mol
• Exact Mass: 1254.18
• IUPAC Name: 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
• SMILES: C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br.CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2I)c1Br
• InChI: InChI=1S/C18H18BrFN4O.C16H15BrFIN4.C4H7O.3C4H9.Sn/c1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25;1-3-23-15(17)11(7-20-23)9-22-8-10(2)21-16(22)13-5-4-12(18)6-14(13)19;1-3-5-4-2;3*1-3-4-2;/h5-9H,4,10H2,1-3H3;4-8H,3,9H2,1-2H3;1,4H2,2H3;3*1,3-4H2,2H3
• InChIKey: AAEYLNLTTZGHHX-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 97.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.56
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The IUPAC name of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane (CID 164947019) is 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane.

What is the SMILES notation for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The canonical SMILES for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br.CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2I)c1Br.

What is the InChIKey of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The InChIKey is AAEYLNLTTZGHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN4O.C16H15BrFIN4.C4H7O.3C4H9.Sn/c1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25;1-3-23-15(17)11(7-20-23)9-22-8-10(2)21-16(22)13-5-4-12(18)6-14(13)19;1-3-5-4-2;3*1-3-4-2;/h5-9H,4,10H2,1-3H3;4-8H,3,9H2,1-2H3;1,4H2,2H3;3*1,3-4H2,2H3;.

What are the key properties of 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 1255.56 g/mol, XLogP of 14.78, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 164947019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).