2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane

C124H199N29 — CID 158505436

About 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane

2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane (PubChem CID 158505436) has the molecular formula C124H199N29 and a molecular weight of 2096.16 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane
• PubChem CID: 158505436
• Molecular Formula: C124H199N29
• Molecular Weight: 2096.16 g/mol
• Exact Mass: 2094.65
• IUPAC Name: 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane
• SMILES: C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1cccc1
• InChI: InChI=1S/3C9H13N.4C8H12N2.4C8H13N.C7H11N3.2C7H12N2.C6H11N3.C5H10N4.CH4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-6-9-4-5-10-7;2*1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-10-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-5(2,3)4-6-8-9-7-4;/h3*4-7H,1-3H3;4*4-6H,1-3H3;4-6,9H,1-3H3;4-7H,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3;2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);1-3H3,(H,6,7,8,9);1H4
• InChIKey: HKKHOFHLKUPXNX-UHFFFAOYSA-N
• XLogP: 29.96
• TPSA: 382.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.16
LogP ≤ 5	29.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane?

The IUPAC name of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane (CID 158505436) is 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane.

What is the SMILES notation for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane?

The canonical SMILES for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane is C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1cccc1.

What is the InChIKey of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane?

The InChIKey is HKKHOFHLKUPXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.4C8H12N2.4C8H13N.C7H11N3.2C7H12N2.C6H11N3.C5H10N4.CH4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-8(2,3)7-6-9-4-5-10-7;2*1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-10-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-5(2,3)4-6-8-9-7-4;/h3*4-7H,1-3H3;4*4-6H,1-3H3;4-6,9H,1-3H3;4-7H,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3;2*4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);1-3H3,(H,6,7,8,9);1H4.

What are the key properties of 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane?

2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane has a molecular weight of 2096.16 g/mol, XLogP of 29.96, 0 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane is sourced from PubChem (CID 158505436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).