About cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride
cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride (PubChem CID 70011501) has the molecular formula C23H23Cl3CoN7
and a molecular weight of 562.78 g/mol. Its IUPAC name is cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride.
Molecular Properties
| Compound Name | cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride |
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| PubChem CID | 70011501 |
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| Molecular Formula | C23H23Cl3CoN7 |
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| Molecular Weight | 562.78 g/mol |
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| Exact Mass | 561.04 |
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| IUPAC Name | cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride |
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| SMILES | CN(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(N(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Cl-].[Co+3] |
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| InChI | InChI=1S/C23H23N7.3ClH.Co/c1-29(2)14-8-10-16-20(12-14)27-22(25-16)18-6-5-7-19(24-18)23-26-17-11-9-15(30(3)4)13-21(17)28-23;;;;/h5-13,16-17H,1-4H3;3*1H;/q;;;;+3/p-3 |
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| InChIKey | LXWZEUPRGINYGR-UHFFFAOYSA-K |
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| XLogP | -6.74 |
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| TPSA | 68.81 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 562.78 |
| LogP ≤ 5 | -6.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
The IUPAC name of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride (CID 70011501) is cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride.
What is the SMILES notation for cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
The canonical SMILES for cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride is CN(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(N(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
The InChIKey is LXWZEUPRGINYGR-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H23N7.3ClH.Co/c1-29(2)14-8-10-16-20(12-14)27-22(25-16)18-6-5-7-19(24-18)23-26-17-11-9-15(30(3)4)13-21(17)28-23;;;;/h5-13,16-17H,1-4H3;3*1H;/q;;;;+3/p-3.
What are the key properties of cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride?
cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride has a molecular weight of 562.78 g/mol, XLogP of -6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2-[6-[6-(dimethylamino)-3aH-benzimidazol-2-yl]-2-pyridinyl]-N,N-dimethyl-7aH-benzimidazol-5-amine;trichloride is sourced from PubChem (CID 70011501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).