6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole

C190H235N21O6S5 — CID 160914272

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole (PubChem CID 160914272) has the molecular formula C190H235N21O6S5 and a molecular weight of 3069.45 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole.

Molecular Properties

• Compound Name: 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole
• PubChem CID: 160914272
• Molecular Formula: C190H235N21O6S5
• Molecular Weight: 3069.45 g/mol
• Exact Mass: 3066.73
• IUPAC Name: 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole
• SMILES: CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2nccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ncccc12.CC(C)C.Cc1csc2ncsc12.c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C14H16.C12H14N2.2C12H15N.C12H16O2.C11H13N3.5C11H14N2.3C11H13NS.C11H14O2.C8H8O2.C6H5NS2.C4H10/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-11(2,3)8-4-5-13-10-9(8)12-6-7-14-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-2-4-8-7(3-1)9-5-6-10-8;1-4-2-8-6-5(4)9-3-7-6;1-4(2)3/h4-10H,1-3H3;4-8H,1-3H3;2*4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,7H2,1-3H3;1-4H,5-6H2;2-3H,1H3;4H,1-3H3
• InChIKey: SREUTQPKZPVCCK-UHFFFAOYSA-N
• XLogP: 51.97
• TPSA: 312.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3069.45
LogP ≤ 5	51.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole?

The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole (CID 160914272) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole.

What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole?

The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole is CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2nccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ncccc12.CC(C)C.Cc1csc2ncsc12.c1ccc2c(c1)OCCO2.

What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole?

The InChIKey is SREUTQPKZPVCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C12H14N2.2C12H15N.C12H16O2.C11H13N3.5C11H14N2.3C11H13NS.C11H14O2.C8H8O2.C6H5NS2.C4H10/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-11(2,3)8-4-5-13-10-9(8)12-6-7-14-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-2-4-8-7(3-1)9-5-6-10-8;1-4-2-8-6-5(4)9-3-7-6;1-4(2)3/h4-10H,1-3H3;4-8H,1-3H3;2*4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,7H2,1-3H3;1-4H,5-6H2;2-3H,1H3;4H,1-3H3.

What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole?

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole has a molecular weight of 3069.45 g/mol, XLogP of 51.97, 0 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;2-methylpropane;6-methylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 160914272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).