5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)

C79H139N15O — CID 157384223

About 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)

5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole) (PubChem CID 157384223) has the molecular formula C79H139N15O and a molecular weight of 1315.08 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole).

Molecular Properties

• Compound Name: 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)
• PubChem CID: 157384223
• Molecular Formula: C79H139N15O
• Molecular Weight: 1315.08 g/mol
• Exact Mass: 1314.13
• IUPAC Name: 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)
• SMILES: CC(=O)Cn1nc(C)cc1C(C)(C)C.CC(C)n1ccnc1C(C)(C)C.CC(C)n1ccnc1C(C)(C)C.CCC1=C(C(C)(C)C)CC(C)=N1.CCc1nc(C)n(C)c1C(C)(C)C.CCn1nc(C)cc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1nccc1C(C)(C)C
• InChI: InChI=1S/C11H18N2O.C11H20N2.C11H19N.3C10H18N2.2C8H14N2/c1-8-6-10(11(3,4)5)13(12-8)7-9(2)14;1-7-9-10(11(3,4)5)13(6)8(2)12-9;1-6-10-9(11(3,4)5)7-8(2)12-10;2*1-8(2)12-7-6-11-9(12)10(3,4)5;1-6-12-9(10(3,4)5)7-8(2)11-12;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-9-10(7)4/h6H,7H2,1-5H3;7H2,1-6H3;6-7H2,1-5H3;2*6-8H,1-5H3;7H,6H2,1-5H3;2*5-6H,1-4H3
• InChIKey: BLFVQFFKRANHOD-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 154.17 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.08
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)?

The IUPAC name of 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole) (CID 157384223) is 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole).

What is the SMILES notation for 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)?

The canonical SMILES for 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole) is CC(=O)Cn1nc(C)cc1C(C)(C)C.CC(C)n1ccnc1C(C)(C)C.CC(C)n1ccnc1C(C)(C)C.CCC1=C(C(C)(C)C)CC(C)=N1.CCc1nc(C)n(C)c1C(C)(C)C.CCn1nc(C)cc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1nccc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)?

The InChIKey is BLFVQFFKRANHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C11H20N2.C11H19N.3C10H18N2.2C8H14N2/c1-8-6-10(11(3,4)5)13(12-8)7-9(2)14;1-7-9-10(11(3,4)5)13(6)8(2)12-9;1-6-10-9(11(3,4)5)7-8(2)12-10;2*1-8(2)12-7-6-11-9(12)10(3,4)5;1-6-12-9(10(3,4)5)7-8(2)11-12;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-9-10(7)4/h6H,7H2,1-5H3;7H2,1-6H3;6-7H2,1-5H3;2*6-8H,1-5H3;7H,6H2,1-5H3;2*5-6H,1-4H3.

What are the key properties of 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)?

5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole) has a molecular weight of 1315.08 g/mol, XLogP of 19.69, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole) is sourced from PubChem (CID 157384223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).