About 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole
2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole (PubChem CID 138570799) has the molecular formula C46H38N22O4
and a molecular weight of 962.96 g/mol. Its IUPAC name is 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole.
Molecular Properties
| Compound Name | 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole |
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| PubChem CID | 138570799 |
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| Molecular Formula | C46H38N22O4 |
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| Molecular Weight | 962.96 g/mol |
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| Exact Mass | 962.34 |
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| IUPAC Name | 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole |
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| SMILES | COc1ccnc(COc2nc3ccc(-c4cnc(COc5nc6ccc(-c7cnc(COc8nc9ccccc9n8-c8nnnn8C)nc7)cc6n5-c5nnnn5C)c(C)c4)cc3n2-c2nnnn2C)c1 |
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| InChI | InChI=1S/C46H38N22O4/c1-26-16-29(27-10-12-34-38(17-27)67(42-55-58-61-64(42)3)45(52-34)70-23-31-19-32(69-5)14-15-47-31)20-48-36(26)24-71-46-53-35-13-11-28(18-39(35)68(46)43-56-59-62-65(43)4)30-21-49-40(50-22-30)25-72-44-51-33-8-6-7-9-37(33)66(44)41-54-57-60-63(41)2/h6-22H,23-25H2,1-5H3 |
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| InChIKey | HYRKVKUJYDRPPV-UHFFFAOYSA-N |
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| XLogP | 4.24 |
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| TPSA | 272.74 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 26 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 962.96 |
| LogP ≤ 5 | 4.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
Analyze 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole?
The IUPAC name of 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole (CID 138570799) is 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole.
What is the SMILES notation for 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole?
The canonical SMILES for 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole is COc1ccnc(COc2nc3ccc(-c4cnc(COc5nc6ccc(-c7cnc(COc8nc9ccccc9n8-c8nnnn8C)nc7)cc6n5-c5nnnn5C)c(C)c4)cc3n2-c2nnnn2C)c1.
What is the InChIKey of 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole?
The InChIKey is HYRKVKUJYDRPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N22O4/c1-26-16-29(27-10-12-34-38(17-27)67(42-55-58-61-64(42)3)45(52-34)70-23-31-19-32(69-5)14-15-47-31)20-48-36(26)24-71-46-53-35-13-11-28(18-39(35)68(46)43-56-59-62-65(43)4)30-21-49-40(50-22-30)25-72-44-51-33-8-6-7-9-37(33)66(44)41-54-57-60-63(41)2/h6-22H,23-25H2,1-5H3.
What are the key properties of 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole?
2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole has a molecular weight of 962.96 g/mol, XLogP of 4.24, 15 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-pyridinyl)methoxy]-6-[5-methyl-6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyrimidin-5-yl]benzimidazol-2-yl]oxymethyl]-3-pyridinyl]-1-(1-methyltetrazol-5-yl)benzimidazole is sourced from PubChem (CID 138570799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).