2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)

C131H167N15O3S — CID 160933929

About 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole) (PubChem CID 160933929) has the molecular formula C131H167N15O3S and a molecular weight of 2031.95 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole).

Molecular Properties

• Compound Name: 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)
• PubChem CID: 160933929
• Molecular Formula: C131H167N15O3S
• Molecular Weight: 2031.95 g/mol
• Exact Mass: 2030.31
• IUPAC Name: 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)
• SMILES: CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/C13H18N2.C13H16.3C12H16N2.2C12H15NO.C12H15N.C11H14N2.C11H13NO.C11H13NS/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h6-8H,1-5H3;4-8H,9H2,1-3H3;3*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3
• InChIKey: STPYLJWUGCTTTH-UHFFFAOYSA-N
• XLogP: 35.04
• TPSA: 191.92 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2031.95
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)?

The IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole) (CID 160933929) is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole).

What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)?

The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole) is CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21.

What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)?

The InChIKey is STPYLJWUGCTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H16.3C12H16N2.2C12H15NO.C12H15N.C11H14N2.C11H13NO.C11H13NS/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h6-8H,1-5H3;4-8H,9H2,1-3H3;3*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3.

What are the key properties of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole)?

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole) has a molecular weight of 2031.95 g/mol, XLogP of 35.04, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole) is sourced from PubChem (CID 160933929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).