2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine

C162H205N25S7 — CID 162006352

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 162006352) has the molecular formula C162H205N25S7 and a molecular weight of 2727.07 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
• PubChem CID: 162006352
• Molecular Formula: C162H205N25S7
• Molecular Weight: 2727.07 g/mol
• Exact Mass: 2724.49
• IUPAC Name: 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
• SMILES: CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1.Cc1nc2ccncc2s1
• InChI: InChI=1S/C13H15N.C12H14N2.2C12H15N.C12H14S.C11H16N2.C11H18N2.C11H14N2.C11H13NS.C11H17NS.C10H13N3.2C10H12N2S.C9H11N3S.C7H6N2S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-5-9-6-2-3-8-4-7(6)10-5/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3
• InChIKey: YSWRQTJSSIBCMX-UHFFFAOYSA-N
• XLogP: 44.82
• TPSA: 301.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2727.07
LogP ≤ 5	44.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?

The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine (CID 162006352) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine.

What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?

The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine is CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1.Cc1nc2ccncc2s1.

What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?

The InChIKey is YSWRQTJSSIBCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H14N2.2C12H15N.C12H14S.C11H16N2.C11H18N2.C11H14N2.C11H13NS.C11H17NS.C10H13N3.2C10H12N2S.C9H11N3S.C7H6N2S/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-5-9-6-2-3-8-4-7(6)10-5/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3.

What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 2727.07 g/mol, XLogP of 44.82, 0 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 162006352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).