2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole

C115H162N22OS2 — CID 159755186

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole (PubChem CID 159755186) has the molecular formula C115H162N22OS2 and a molecular weight of 1932.85 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole
• PubChem CID: 159755186
• Molecular Formula: C115H162N22OS2
• Molecular Weight: 1932.85 g/mol
• Exact Mass: 1931.27
• IUPAC Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole
• SMILES: CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1
• InChI: InChI=1S/2C13H15N.C11H14N2.C11H13NS.C9H13N.3C8H12N2.C7H11N3.C7H12N2.C7H11NO.C7H11NS.C6H11N3/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-10-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5/h2*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;4H,1-3H3,(H,7,8,9)
• InChIKey: NEDZPVGBJKBMSZ-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 305.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1932.85
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole?

The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole (CID 159755186) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole.

What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole?

The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole is CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.

What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole?

The InChIKey is NEDZPVGBJKBMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.C11H14N2.C11H13NS.C9H13N.3C8H12N2.C7H11N3.C7H12N2.C7H11NO.C7H11NS.C6H11N3/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-10-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5/h2*4-9H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;4H,1-3H3,(H,7,8,9).

What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole?

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole has a molecular weight of 1932.85 g/mol, XLogP of 29.61, 0 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 159755186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).