1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine

C188H271N25O5S5 — CID 163534084

About 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine

1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine (PubChem CID 163534084) has the molecular formula C188H271N25O5S5 and a molecular weight of 3121.74 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 163534084
• Molecular Formula: C188H271N25O5S5
• Molecular Weight: 3121.74 g/mol
• Exact Mass: 3119.03
• IUPAC Name: 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ncccc2[nH]1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2nc[nH]c2c1.c1cnc2scnc2c1.c1cocn1.c1cscn1
• InChI: InChI=1S/C12H14O.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C10H12N2S.C10H14.C8H12N2.C8H6O.C7H6N2.C7H5NO.C7H5NS.C6H5N3.C6H4N2S.C5H5N.10C5H12.C3H4N2.C3H3NO.C3H3NS/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-6-9-4-5-10-7;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-4-5-3-1;2*1-2-5-3-4-1/h4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;1-6H;1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);1-4H;1-5H;10*1-4H3;1-3H,(H,4,5);2*1-3H
• InChIKey: DVLZMEHZGXVXDY-UHFFFAOYSA-N
• XLogP: 57.91
• TPSA: 402.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3121.74
LogP ≤ 5	57.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine (CID 163534084) is 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ncccc2[nH]1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2nc[nH]c2c1.c1cnc2scnc2c1.c1cocn1.c1cscn1.

What is the InChIKey of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is DVLZMEHZGXVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C10H12N2S.C10H14.C8H12N2.C8H6O.C7H6N2.C7H5NO.C7H5NS.C6H5N3.C6H4N2S.C5H5N.10C5H12.C3H4N2.C3H3NO.C3H3NS/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-6-9-4-5-10-7;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-4-5-3-1;2*1-2-5-3-4-1/h4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;1-6H;1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);1-4H;1-5H;10*1-4H3;1-3H,(H,4,5);2*1-3H.

What are the key properties of 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine?

1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 3121.74 g/mol, XLogP of 57.91, 0 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 163534084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).