5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole

C134H216N20O3 — CID 159107597

About 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole

5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole (PubChem CID 159107597) has the molecular formula C134H216N20O3 and a molecular weight of 2155.34 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole.

Molecular Properties

• Compound Name: 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole
• PubChem CID: 159107597
• Molecular Formula: C134H216N20O3
• Molecular Weight: 2155.34 g/mol
• Exact Mass: 2153.74
• IUPAC Name: 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole
• SMILES: CC(C)(C)C1C=CC(=O)O1.CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)ncn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1nccc(C(C)(C)C)n1.Cc1ncccc1C(C)(C)C.Cc1nocc1C(C)(C)C
• InChI: InChI=1S/3C10H15N.C9H16N2.3C9H14N2.4C9H15N.2C8H14N2.C8H13NO.C8H12O2/c1-8-7-9(5-6-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(9(2,3)4)11-6-10-7;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;2*1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-8(2,3)6-4-5-7(9)10-6/h3*5-7H,1-4H3;6H,1-5H3;3*5-6H,1-4H3;3*5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);5H,1-4H3;4-6H,1-3H3
• InChIKey: KEBWTUHITBJHMQ-UHFFFAOYSA-N
• XLogP: 34.24
• TPSA: 292.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.34
LogP ≤ 5	34.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole?

The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole (CID 159107597) is 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole.

What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole?

The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole is CC(C)(C)C1C=CC(=O)O1.CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)ncn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1nccc(C(C)(C)C)n1.Cc1ncccc1C(C)(C)C.Cc1nocc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole?

The InChIKey is KEBWTUHITBJHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H15N.C9H16N2.3C9H14N2.4C9H15N.2C8H14N2.C8H13NO.C8H12O2/c1-8-7-9(5-6-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(9(2,3)4)11-6-10-7;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;2*1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-8(2,3)6-4-5-7(9)10-6/h3*5-7H,1-4H3;6H,1-5H3;3*5-6H,1-4H3;3*5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);5H,1-4H3;4-6H,1-3H3.

What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole?

5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole has a molecular weight of 2155.34 g/mol, XLogP of 34.24, 0 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole is sourced from PubChem (CID 159107597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).