About bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride
bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride (PubChem CID 10123777) has the molecular formula C32H37Cl3N11O2Os-3
and a molecular weight of 904.31 g/mol. Its IUPAC name is bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride.
Molecular Properties
| Compound Name | bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride |
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| PubChem CID | 10123777 |
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| Molecular Formula | C32H37Cl3N11O2Os-3 |
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| Molecular Weight | 904.31 g/mol |
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| Exact Mass | 904.18 |
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| IUPAC Name | bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride |
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| SMILES | Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.O=C(O)C1CCN(c2ccnc(-c3ccccn3)c2)CC1.[Cl-].[Cl-].[Cl-].[Os] |
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| InChI | InChI=1S/C16H17N3O2.2C8H10N4.3ClH.Os/c20-16(21)12-5-9-19(10-6-12)13-4-8-18-15(11-13)14-3-1-2-7-17-14;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h1-4,7-8,11-12H,5-6,9-10H2,(H,20,21);2*3-6H,1-2H3;3*1H;/p-3 |
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| InChIKey | FAKSTPSGCPUHIK-UHFFFAOYSA-K |
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| XLogP | -4.90 |
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| TPSA | 137.60 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 904.31 |
| LogP ≤ 5 | -4.90 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 12 |
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Frequently Asked Questions
What is the IUPAC name of bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride?
The IUPAC name of bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride (CID 10123777) is bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride.
What is the SMILES notation for bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride?
The canonical SMILES for bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride is Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.O=C(O)C1CCN(c2ccnc(-c3ccccn3)c2)CC1.[Cl-].[Cl-].[Cl-].[Os].
What is the InChIKey of bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride?
The InChIKey is FAKSTPSGCPUHIK-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H17N3O2.2C8H10N4.3ClH.Os/c20-16(21)12-5-9-19(10-6-12)13-4-8-18-15(11-13)14-3-1-2-7-17-14;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;;;/h1-4,7-8,11-12H,5-6,9-10H2,(H,20,21);2*3-6H,1-2H3;3*1H;/p-3.
What are the key properties of bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride?
bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride has a molecular weight of 904.31 g/mol, XLogP of -4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride is sourced from PubChem (CID 10123777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).