2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene

C96H146N8O2S — CID 164985711

About 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene

2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene (PubChem CID 164985711) has the molecular formula C96H146N8O2S and a molecular weight of 1476.34 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
• PubChem CID: 164985711
• Molecular Formula: C96H146N8O2S
• Molecular Weight: 1476.34 g/mol
• Exact Mass: 1475.13
• IUPAC Name: 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
• SMILES: CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C
• InChI: InChI=1S/C15H24.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(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;1-8(2,3)7-6-9-4-5-10-7;3*1-8(2,3)7-5-4-6-9-7/h1-8H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;3*4-7H,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3
• InChIKey: GDCDZDNXPANXLJ-UHFFFAOYSA-N
• XLogP: 27.13
• TPSA: 128.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1476.34
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?

The IUPAC name of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene (CID 164985711) is 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene.

What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?

The canonical SMILES for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene is CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C.

What is the InChIKey of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?

The InChIKey is GDCDZDNXPANXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(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;1-8(2,3)7-6-9-4-5-10-7;3*1-8(2,3)7-5-4-6-9-7/h1-8H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;3*4-7H,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3.

What are the key properties of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?

2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene has a molecular weight of 1476.34 g/mol, XLogP of 27.13, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene is sourced from PubChem (CID 164985711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).