magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide

C48H47BrMgN8O5S2 — CID 159790084

About magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide

magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide (PubChem CID 159790084) has the molecular formula C48H47BrMgN8O5S2 and a molecular weight of 984.30 g/mol. Its IUPAC name is magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide.

Molecular Properties

• Compound Name: magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide
• PubChem CID: 159790084
• Molecular Formula: C48H47BrMgN8O5S2
• Molecular Weight: 984.30 g/mol
• Exact Mass: 982.21
• IUPAC Name: magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide
• SMILES: COCCn1c(-c2cnc(-c3ccc4sccc4c3)[nH]2)nc2cc(C(=O)OC)ccc21.COCCn1c(-c2cnc(-c3ccc4sccc4c3)[nH]2)nc2cc(C(C)(C)O)ccc21.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C24H24N4O2S.C23H20N4O3S.CH3.BrH.Mg/c1-24(2,29)17-5-6-20-18(13-17)27-23(28(20)9-10-30-3)19-14-25-22(26-19)16-4-7-21-15(12-16)8-11-31-21;1-29-9-8-27-19-5-3-16(23(28)30-2)12-17(19)26-22(27)18-13-24-21(25-18)15-4-6-20-14(11-15)7-10-31-20;;;/h4-8,11-14,29H,9-10H2,1-3H3,(H,25,26);3-7,10-13H,8-9H2,1-2H3,(H,24,25);1H3;1H;/q;;-1;;+2/p-1
• InChIKey: RENDPVYLNYDMQG-UHFFFAOYSA-M
• XLogP: 7.00
• TPSA: 157.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.30
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide?

The IUPAC name of magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide (CID 159790084) is magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide.

What is the SMILES notation for magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide?

The canonical SMILES for magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide is COCCn1c(-c2cnc(-c3ccc4sccc4c3)[nH]2)nc2cc(C(=O)OC)ccc21.COCCn1c(-c2cnc(-c3ccc4sccc4c3)[nH]2)nc2cc(C(C)(C)O)ccc21.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide?

The InChIKey is RENDPVYLNYDMQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24N4O2S.C23H20N4O3S.CH3.BrH.Mg/c1-24(2,29)17-5-6-20-18(13-17)27-23(28(20)9-10-30-3)19-14-25-22(26-19)16-4-7-21-15(12-16)8-11-31-21;1-29-9-8-27-19-5-3-16(23(28)30-2)12-17(19)26-22(27)18-13-24-21(25-18)15-4-6-20-14(11-15)7-10-31-20;;;/h4-8,11-14,29H,9-10H2,1-3H3,(H,25,26);3-7,10-13H,8-9H2,1-2H3,(H,24,25);1H3;1H;/q;;-1;;+2/p-1.

What are the key properties of magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide?

magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide has a molecular weight of 984.30 g/mol, XLogP of 7.00, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol;carbanide;methyl 2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazole-5-carboxylate;bromide is sourced from PubChem (CID 159790084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).