2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole

C122H203N31O3S6 — CID 158276542

About 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole

2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (PubChem CID 158276542) has the molecular formula C122H203N31O3S6 and a molecular weight of 2344.58 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
• PubChem CID: 158276542
• Molecular Formula: C122H203N31O3S6
• Molecular Weight: 2344.58 g/mol
• Exact Mass: 2342.50
• IUPAC Name: 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
• SMILES: CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccsn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nncs1
• InChI: InChI=1S/3C8H13N.3C7H12N2.2C7H11NO.4C7H11NS.2C6H11N3.C6H10N2O.2C6H10N2S.C5H10N4/c1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-8-9-7-4/h3*4-6,9H,1-3H3;3*4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);3*4H,1-3H3;1-3H3,(H,6,7,8,9)
• InChIKey: GJRFVQFUXIBKRQ-UHFFFAOYSA-N
• XLogP: 33.50
• TPSA: 465.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.58
LogP ≤ 5	33.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole (CID 158276542) is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole.

What is the SMILES notation for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The canonical SMILES for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole is CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccsn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nncs1.

What is the InChIKey of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

The InChIKey is GJRFVQFUXIBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H13N.3C7H12N2.2C7H11NO.4C7H11NS.2C6H11N3.C6H10N2O.2C6H10N2S.C5H10N4/c1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-8-9-7-4/h3*4-6,9H,1-3H3;3*4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);3*4H,1-3H3;1-3H3,(H,6,7,8,9).

What are the key properties of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole?

2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole has a molecular weight of 2344.58 g/mol, XLogP of 33.50, 0 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 158276542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).