Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine

C₆₅H₁₀₉N₁₃OS — CID 159427548

About Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine

Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine (PubChem CID 159427548) has the molecular formula C₆₅H₁₀₉N₁₃OS and a molecular weight of 1120.74 g/mol. Its IUPAC name is bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine.

Molecular Properties

• Compound Name: Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine
• PubChem CID: 159427548
• Molecular Formula: C₆₅H₁₀₉N₁₃OS
• Molecular Weight: 1120.74 g/mol
• Exact Mass: 1119.86
• IUPAC Name: bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine
• SMILES: CC(C)(C)c1ccccn1.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1nccc1C(C)(C)C.Cn1ncnc1C(C)(C)C
• InChI: InChI=1S/C9H15N.C9H13N.3C8H14N2.C8H13NO.C8H13NS.C7H13N3/c1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-9-10(7)4;2*1-6-7(8(2,3)4)9-5-10-6;1-7(2,3)6-8-5-9-10(6)4/h5-7H,1-4H3;4-7H,1-3H3;3*5-6H,1-4H3;3*5H,1-4H3
• InChIKey: LQODGDWRJFVMIC-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 140.91 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.74
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine?

The IUPAC name of Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine (CID 159427548) is bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine.

What is the SMILES notation for Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine?

The canonical SMILES for Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine is CC(C)(C)c1ccccn1.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1nccc1C(C)(C)C.Cn1ncnc1C(C)(C)C.

What is the InChIKey of Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine?

The InChIKey is LQODGDWRJFVMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C9H13N.3C8H14N2.C8H13NO.C8H13NS.C7H13N3/c1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-9-10(7)4;2*1-6-7(8(2,3)4)9-5-10-6;1-7(2,3)6-8-5-9-10(6)4/h5-7H,1-4H3;4-7H,1-3H3;3*5-6H,1-4H3;3*5H,1-4H3.

What are the key properties of Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine?

Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine has a molecular weight of 1120.74 g/mol, XLogP of 16.00, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine is sourced from PubChem (CID 159427548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159427548 — identifiers, structure, computed properties (public domain)

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