About N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide
N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide (PubChem CID 57414589) has the molecular formula C29H22N6O3S2
and a molecular weight of 566.67 g/mol. Its IUPAC name is N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide |
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| PubChem CID | 57414589 |
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| Molecular Formula | C29H22N6O3S2 |
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| Molecular Weight | 566.67 g/mol |
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| Exact Mass | 566.12 |
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| IUPAC Name | N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide |
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| SMILES | CS(=O)(=O)N(Cc1cnc(-c2ccc3nc[nH]c3c2)s1)c1ccc2c(-c3ncc[nH]3)c(-c3ccccc3)oc2c1 |
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| InChI | InChI=1S/C29H22N6O3S2/c1-40(36,37)35(16-21-15-32-29(39-21)19-7-10-23-24(13-19)34-17-33-23)20-8-9-22-25(14-20)38-27(18-5-3-2-4-6-18)26(22)28-30-11-12-31-28/h2-15,17H,16H2,1H3,(H,30,31)(H,33,34) |
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| InChIKey | GOGFGMKVVYBQBE-UHFFFAOYSA-N |
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| XLogP | 6.46 |
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| TPSA | 120.77 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 566.67 |
| LogP ≤ 5 | 6.46 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide?
The IUPAC name of N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide (CID 57414589) is N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide.
What is the SMILES notation for N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide?
The canonical SMILES for N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide is CS(=O)(=O)N(Cc1cnc(-c2ccc3nc[nH]c3c2)s1)c1ccc2c(-c3ncc[nH]3)c(-c3ccccc3)oc2c1.
What is the InChIKey of N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide?
The InChIKey is GOGFGMKVVYBQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O3S2/c1-40(36,37)35(16-21-15-32-29(39-21)19-7-10-23-24(13-19)34-17-33-23)20-8-9-22-25(14-20)38-27(18-5-3-2-4-6-18)26(22)28-30-11-12-31-28/h2-15,17H,16H2,1H3,(H,30,31)(H,33,34).
What are the key properties of N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide?
N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide has a molecular weight of 566.67 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide is sourced from PubChem (CID 57414589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).