About 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole
4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole (PubChem CID 158664922) has the molecular formula C59H100N18
and a molecular weight of 1061.57 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole.
Molecular Properties
| Compound Name | 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole |
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| PubChem CID | 158664922 |
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| Molecular Formula | C59H100N18 |
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| Molecular Weight | 1061.57 g/mol |
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| Exact Mass | 1060.84 |
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| IUPAC Name | 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole |
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| SMILES | CC(C)n1cccc1.CC(C)n1ccnc1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1 |
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| InChI | InChI=1S/C8H13N.3C7H12N2.C7H11N.C6H11N3.2C6H10N2.C5H9N3/c1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-7(2)8-5-3-4-6-8;1-5(2)9-4-6(3)7-8-9;2*1-6(2)8-4-3-7-5-8;1-5(2)8-4-3-6-7-8/h4-7H,1-3H3;3*4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3 |
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| InChIKey | IDFOQQVFTPUAFP-UHFFFAOYSA-N |
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| XLogP | 14.72 |
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| TPSA | 160.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 77 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1061.57 |
| LogP ≤ 5 | 14.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Analyze 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole?
The IUPAC name of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole (CID 158664922) is 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole.
What is the SMILES notation for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole?
The canonical SMILES for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole is CC(C)n1cccc1.CC(C)n1ccnc1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1ccn(C(C)C)c1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1cn(C(C)C)nn1.Cc1cnn(C(C)C)c1.
What is the InChIKey of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole?
The InChIKey is IDFOQQVFTPUAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.3C7H12N2.C7H11N.C6H11N3.2C6H10N2.C5H9N3/c1-7(2)9-5-4-8(3)6-9;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-6(2)9-5-4-7(3)8-9;1-7(2)8-5-3-4-6-8;1-5(2)9-4-6(3)7-8-9;2*1-6(2)8-4-3-7-5-8;1-5(2)8-4-3-6-7-8/h4-7H,1-3H3;3*4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole?
4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole has a molecular weight of 1061.57 g/mol, XLogP of 14.72, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylimidazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;4-methyl-1-propan-2-yltriazole;bis(1-propan-2-ylimidazole);1-propan-2-ylpyrrole;1-propan-2-yltriazole is sourced from PubChem (CID 158664922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).