4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane

C53H67Br2N7O11 — CID 161020432

About 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane

4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane (PubChem CID 161020432) has the molecular formula C53H67Br2N7O11 and a molecular weight of 1137.96 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane.

Molecular Properties

• Compound Name: 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane
• PubChem CID: 161020432
• Molecular Formula: C53H67Br2N7O11
• Molecular Weight: 1137.96 g/mol
• Exact Mass: 1135.33
• IUPAC Name: 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane
• SMILES: C.COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2cn(C)c(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)n2)cc(OC)c1Br.COc1cc(-c2cn(C)cn2)cc(OC)c1Br
• InChI: InChI=1S/C25H28BrN3O5.C15H22N2O4.C12H13BrN2O2.CH4/c1-28-15-19(17-13-20(31-2)22(26)21(14-17)32-3)27-25(28)23(30)24(33-4)16-5-7-18(8-6-16)29-9-11-34-12-10-29;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17;1-15-6-9(14-7-15)8-4-10(16-2)12(13)11(5-8)17-3;/h5-8,13-15,24H,9-12H2,1-4H3;4-7,14H,8-11H2,1-3H3;4-7H,1-3H3;1H4
• InChIKey: TYHGPSWMDPARRC-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 162.57 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.96
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane?

The IUPAC name of 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane (CID 161020432) is 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane.

What is the SMILES notation for 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane?

The canonical SMILES for 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane is C.COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2cn(C)c(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)n2)cc(OC)c1Br.COc1cc(-c2cn(C)cn2)cc(OC)c1Br.

What is the InChIKey of 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane?

The InChIKey is TYHGPSWMDPARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3O5.C15H22N2O4.C12H13BrN2O2.CH4/c1-28-15-19(17-13-20(31-2)22(26)21(14-17)32-3)27-25(28)23(30)24(33-4)16-5-7-18(8-6-16)29-9-11-34-12-10-29;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17;1-15-6-9(14-7-15)8-4-10(16-2)12(13)11(5-8)17-3;/h5-8,13-15,24H,9-12H2,1-4H3;4-7,14H,8-11H2,1-3H3;4-7H,1-3H3;1H4.

What are the key properties of 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane?

4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane has a molecular weight of 1137.96 g/mol, XLogP of 9.01, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole;1-[4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazol-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;methane is sourced from PubChem (CID 161020432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).