2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine

C113H140Cl5N17S2 — CID 160862646

About 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine

2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 160862646) has the molecular formula C113H140Cl5N17S2 and a molecular weight of 1977.88 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
• PubChem CID: 160862646
• Molecular Formula: C113H140Cl5N17S2
• Molecular Weight: 1977.88 g/mol
• Exact Mass: 1973.94
• IUPAC Name: 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
• SMILES: CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2ncc(Cl)n2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cnc2cc(C(C)(C)C)ccc21
• InChI: InChI=1S/C12H15ClN2.C12H14ClN.C12H16N2.C12H17N.2C11H12ClNS.3C11H14N2.C10H12ClN3/c1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-10(2,3)7-4-12-9-13-5-8(11)14(9)6-7/h5-7H,1-4H3;4,6-7H,5H2,1-3H3;5-8H,1-4H3;4-6,13H,7-8H2,1-3H3;2*4-6H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-6H,1-3H3
• InChIKey: SKROQVPPZKCFOQ-UHFFFAOYSA-N
• XLogP: 32.02
• TPSA: 191.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.88
LogP ≤ 5	32.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

The IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine (CID 160862646) is 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine.

What is the SMILES notation for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

The canonical SMILES for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine is CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2ncc(Cl)n2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cnc2cc(C(C)(C)C)ccc21.

What is the InChIKey of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

The InChIKey is SKROQVPPZKCFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2.C12H14ClN.C12H16N2.C12H17N.2C11H12ClNS.3C11H14N2.C10H12ClN3/c1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-10(2,3)7-4-12-9-13-5-8(11)14(9)6-7/h5-7H,1-4H3;4,6-7H,5H2,1-3H3;5-8H,1-4H3;4-6,13H,7-8H2,1-3H3;2*4-6H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-6H,1-3H3.

What are the key properties of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 1977.88 g/mol, XLogP of 32.02, 0 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyrimidine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 160862646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).