bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole

C44H74N10OS — CID 158097709

About bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole

bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole (PubChem CID 158097709) has the molecular formula C44H74N10OS and a molecular weight of 791.21 g/mol. Its IUPAC name is bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole.

Molecular Properties

• Compound Name: bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole
• PubChem CID: 158097709
• Molecular Formula: C44H74N10OS
• Molecular Weight: 791.21 g/mol
• Exact Mass: 790.58
• IUPAC Name: bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole
• SMILES: CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1
• InChI: InChI=1S/2C8H14N2.2C7H12N2.C7H11NO.C7H11NS/c1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-9-5-6-10(7)4;4*1-7(2,3)6-8-4-5-9-6/h2*5-6H,1-4H3;2*4H,5H2,1-3H3;2*4-5H,1-3H3
• InChIKey: FOWGPUGVLDTMHO-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 124.00 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	791.21
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole?

The IUPAC name of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole (CID 158097709) is bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole.

What is the SMILES notation for bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole?

The canonical SMILES for bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole is CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.

What is the InChIKey of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole?

The InChIKey is FOWGPUGVLDTMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.2C7H12N2.C7H11NO.C7H11NS/c1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-9-5-6-10(7)4;4*1-7(2,3)6-8-4-5-9-6/h2*5-6H,1-4H3;2*4H,5H2,1-3H3;2*4-5H,1-3H3.

What are the key properties of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole?

bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole has a molecular weight of 791.21 g/mol, XLogP of 10.88, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 158097709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).