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

C78H129N13O2 — CID 160933528

About 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole (PubChem CID 160933528) has the molecular formula C78H129N13O2 and a molecular weight of 1280.98 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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole
• PubChem CID: 160933528
• Molecular Formula: C78H129N13O2
• Molecular Weight: 1280.98 g/mol
• Exact Mass: 1280.04
• IUPAC Name: 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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=C1C(C)(C)C.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)ncn1.Cc1ccnc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C
• InChI: InChI=1S/C9H16N2.2C9H14N2.3C9H15N.2C8H14N2.C8H12O2/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(9(2,3)4)11-6-10-7;1-7-5-6-10-8(11-7)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;1-8(2,3)6-4-5-7(9)10-6/h6H,1-5H3;2*5-6H,1-4H3;2*5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);4-6H,1-3H3
• InChIKey: STOPSAAIFPEJSH-UHFFFAOYSA-N
• XLogP: 19.38
• TPSA: 190.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1280.98
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole (CID 160933528) is 5-tert-butyl-1,2-dimethylimidazole;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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=C1C(C)(C)C.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)ncn1.Cc1ccnc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.

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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole?

The InChIKey is STOPSAAIFPEJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C9H14N2.3C9H15N.2C8H14N2.C8H12O2/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(9(2,3)4)11-6-10-7;1-7-5-6-10-8(11-7)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;1-8(2,3)6-4-5-7(9)10-6/h6H,1-5H3;2*5-6H,1-4H3;2*5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole has a molecular weight of 1280.98 g/mol, XLogP of 19.38, 0 rotatable bonds, 2 hydrogen bond donors, and 13 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;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;bis(4-tert-butyl-5-methyl-2H-pyrrole);5-tert-butyl-2-methyl-3H-pyrrole is sourced from PubChem (CID 160933528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).