About methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine
methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine (PubChem CID 160824291) has the molecular formula C72H79N15O
and a molecular weight of 1170.53 g/mol. Its IUPAC name is methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine.
Molecular Properties
| Compound Name | methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine |
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| PubChem CID | 160824291 |
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| Molecular Formula | C72H79N15O |
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| Molecular Weight | 1170.53 g/mol |
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| Exact Mass | 1169.66 |
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| IUPAC Name | methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine |
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| SMILES | C.CC(C)CC(C)O.CN1C=CN(c2cccnc2)C1.CN1CN(c2ccccc2)c2ccccc21.CN1CN(c2cccnc2)c2ccccc21.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncccn2)nc1.c1cncc(-c2cnccn2)c1 |
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| InChI | InChI=1S/C14H14N2.C13H13N3.C11H9N.C9H11N3.2C9H7N3.C6H14O.CH4/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-15-10-16(11-5-4-8-14-9-11)13-7-3-2-6-12(13)15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-5-6-12(8-11)9-3-2-4-10-7-9;1-2-5-10-8(4-1)9-11-6-3-7-12-9;1-2-8(6-10-3-1)9-7-11-4-5-12-9;1-5(2)4-6(3)7;/h2-10H,11H2,1H3;2-9H,10H2,1H3;1-9H;2-7H,8H2,1H3;2*1-7H;5-7H,4H2,1-3H3;1H4 |
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| InChIKey | PHRHMMTUNHGKIL-UHFFFAOYSA-N |
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| XLogP | 15.00 |
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| TPSA | 155.68 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 88 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1170.53 |
| LogP ≤ 5 | 15.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |
Analyze methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
The IUPAC name of methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine (CID 160824291) is methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine.
What is the SMILES notation for methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
The canonical SMILES for methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine is C.CC(C)CC(C)O.CN1C=CN(c2cccnc2)C1.CN1CN(c2ccccc2)c2ccccc21.CN1CN(c2cccnc2)c2ccccc21.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncccn2)nc1.c1cncc(-c2cnccn2)c1.
What is the InChIKey of methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
The InChIKey is PHRHMMTUNHGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C13H13N3.C11H9N.C9H11N3.2C9H7N3.C6H14O.CH4/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-15-10-16(11-5-4-8-14-9-11)13-7-3-2-6-12(13)15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-5-6-12(8-11)9-3-2-4-10-7-9;1-2-5-10-8(4-1)9-11-6-3-7-12-9;1-2-8(6-10-3-1)9-7-11-4-5-12-9;1-5(2)4-6(3)7;/h2-10H,11H2,1H3;2-9H,10H2,1H3;1-9H;2-7H,8H2,1H3;2*1-7H;5-7H,4H2,1-3H3;1H4.
What are the key properties of methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine has a molecular weight of 1170.53 g/mol, XLogP of 15.00, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(3-methyl-2H-imidazol-1-yl)pyridine;4-methylpentan-2-ol;1-methyl-3-phenyl-2H-benzimidazole;1-methyl-3-pyridin-3-yl-2H-benzimidazole;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 160824291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).