1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole)

C55H92N14OS2 — CID 161119724

About 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole)

1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole) (PubChem CID 161119724) has the molecular formula C55H92N14OS2 and a molecular weight of 1029.57 g/mol. Its IUPAC name is 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole).

Molecular Properties

• Compound Name: 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole)
• PubChem CID: 161119724
• Molecular Formula: C55H92N14OS2
• Molecular Weight: 1029.57 g/mol
• Exact Mass: 1028.70
• IUPAC Name: 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole)
• SMILES: CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1ccnc1
• InChI: InChI=1S/C8H13N.3C7H12N2.C7H11NO.2C7H11NS.C5H10N4/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;4*1-7(2,3)6-8-4-5-9-6;1-5(2,3)4-6-8-9-7-4/h4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1-3H3,(H,6,7,8,9)
• InChIKey: UKUFCLMEFATOHB-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 197.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.57
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole) (CID 161119724) is 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole).

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

The canonical SMILES for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole) is CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1ccnc1.

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

The InChIKey is UKUFCLMEFATOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.3C7H12N2.C7H11NO.2C7H11NS.C5H10N4/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;4*1-7(2,3)6-8-4-5-9-6;1-5(2,3)4-6-8-9-7-4/h4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1-3H3,(H,6,7,8,9).

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

1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole) has a molecular weight of 1029.57 g/mol, XLogP of 14.72, 0 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-2H-tetrazole;bis(2-tert-butyl-1,3-thiazole) is sourced from PubChem (CID 161119724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).