About N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide
N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide (PubChem CID 57415215) has the molecular formula C30H24N6O3S2
and a molecular weight of 580.70 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide.
Molecular Properties
| Compound Name | N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide |
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| PubChem CID | 57415215 |
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| Molecular Formula | C30H24N6O3S2 |
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| Molecular Weight | 580.70 g/mol |
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| Exact Mass | 580.14 |
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| IUPAC Name | N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide |
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| SMILES | Cn1cnc2ccc(-c3ncc(CN(c4ccc5c(-c6ncc[nH]6)c(-c6ccccc6)oc5c4)S(C)(=O)=O)s3)cc21 |
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| InChI | InChI=1S/C30H24N6O3S2/c1-35-18-34-24-11-8-20(14-25(24)35)30-33-16-22(40-30)17-36(41(2,37)38)21-9-10-23-26(15-21)39-28(19-6-4-3-5-7-19)27(23)29-31-12-13-32-29/h3-16,18H,17H2,1-2H3,(H,31,32) |
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| InChIKey | DURGCFGERYWAST-UHFFFAOYSA-N |
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| XLogP | 6.47 |
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| TPSA | 109.91 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 580.70 |
| LogP ≤ 5 | 6.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide (CID 57415215) is N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide is Cn1cnc2ccc(-c3ncc(CN(c4ccc5c(-c6ncc[nH]6)c(-c6ccccc6)oc5c4)S(C)(=O)=O)s3)cc21.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?
The InChIKey is DURGCFGERYWAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3S2/c1-35-18-34-24-11-8-20(14-25(24)35)30-33-16-22(40-30)17-36(41(2,37)38)21-9-10-23-26(15-21)39-28(19-6-4-3-5-7-19)27(23)29-31-12-13-32-29/h3-16,18H,17H2,1-2H3,(H,31,32).
What are the key properties of N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?
N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide has a molecular weight of 580.70 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 57415215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).