bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)

C130H237N17OS — CID 161111653

About bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)

bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole) (PubChem CID 161111653) has the molecular formula C130H237N17OS and a molecular weight of 2086.51 g/mol. Its IUPAC name is bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole).

Molecular Properties

• Compound Name: bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)
• PubChem CID: 161111653
• Molecular Formula: C130H237N17OS
• Molecular Weight: 2086.51 g/mol
• Exact Mass: 2084.87
• IUPAC Name: bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)
• SMILES: Cc1c(C(C)(C)C)c(C(C)(C)C)n(C)c1C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(C)c1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C)n(C(C)(C)C)c1C(C)(C)C.Cc1nc(C)n(C(C)(C)C)c1C(C)(C)C.Cc1nn(C)c(C(C)(C)C)c1C(C)(C)C.Cc1nn(C)c(C(C)(C)C)c1C(C)(C)C.Cc1noc(C(C)(C)C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C(C)(C)C.Cn1nnc(C(C)(C)C)c1C(C)(C)C
• InChI: InChI=1S/2C15H27N.5C13H24N2.C12H21NO.C12H21NS.C11H21N3/c2*1-10-11(2)16(9)13(15(6,7)8)12(10)14(3,4)5;1-9-14-10(12(2,3)4)11(15(9)8)13(5,6)7;2*1-9-10(12(2,3)4)11(13(5,6)7)15(8)14-9;2*1-9-11(12(3,4)5)15(10(2)14-9)13(6,7)8;2*1-8-9(11(2,3)4)10(14-13-8)12(5,6)7;1-10(2,3)8-9(11(4,5)6)14(7)13-12-8/h2*1-9H3;5*1-8H3;3*1-7H3
• InChIKey: UJTPRWQLKXXLSB-UHFFFAOYSA-N
• XLogP: 35.58
• TPSA: 168.59 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.51
LogP ≤ 5	35.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)?

The IUPAC name of bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole) (CID 161111653) is bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole).

What is the SMILES notation for bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)?

The canonical SMILES for bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole) is Cc1c(C(C)(C)C)c(C(C)(C)C)n(C)c1C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(C)c1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C)n(C(C)(C)C)c1C(C)(C)C.Cc1nc(C)n(C(C)(C)C)c1C(C)(C)C.Cc1nn(C)c(C(C)(C)C)c1C(C)(C)C.Cc1nn(C)c(C(C)(C)C)c1C(C)(C)C.Cc1noc(C(C)(C)C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C(C)(C)C.Cn1nnc(C(C)(C)C)c1C(C)(C)C.

What is the InChIKey of bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)?

The InChIKey is UJTPRWQLKXXLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H27N.5C13H24N2.C12H21NO.C12H21NS.C11H21N3/c2*1-10-11(2)16(9)13(15(6,7)8)12(10)14(3,4)5;1-9-14-10(12(2,3)4)11(15(9)8)13(5,6)7;2*1-9-10(12(2,3)4)11(13(5,6)7)15(8)14-9;2*1-9-11(12(3,4)5)15(10(2)14-9)13(6,7)8;2*1-8-9(11(2,3)4)10(14-13-8)12(5,6)7;1-10(2,3)8-9(11(4,5)6)14(7)13-12-8/h2*1-9H3;5*1-8H3;3*1-7H3.

What are the key properties of bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole)?

bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole) has a molecular weight of 2086.51 g/mol, XLogP of 35.58, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,5-ditert-butyl-2,4-dimethylimidazole);4,5-ditert-butyl-1,2-dimethylimidazole;bis(4,5-ditert-butyl-1,3-dimethylpyrazole);4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;bis(2,3-ditert-butyl-1,4,5-trimethylpyrrole) is sourced from PubChem (CID 161111653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).