2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine

C79H99Cl4N13S — CID 157284733

About 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 157284733) has the molecular formula C79H99Cl4N13S and a molecular weight of 1404.63 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
• PubChem CID: 157284733
• Molecular Formula: C79H99Cl4N13S
• Molecular Weight: 1404.63 g/mol
• Exact Mass: 1401.66
• IUPAC Name: 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.CN1CC(Cl)c2cc(C(C)(C)C)cnc21.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21
• InChI: InChI=1S/C12H17ClN2.C12H15ClN2.C11H13ClN2.C11H12ClNS.3C11H14N2/c2*1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)10-13-9-7(12)5-4-6-8(9)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/h5-6,10H,7H2,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3
• InChIKey: BABYROJXTZJBBW-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 138.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1404.63
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine (CID 157284733) is 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.CN1CC(Cl)c2cc(C(C)(C)C)cnc21.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.

What is the InChIKey of 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

The InChIKey is BABYROJXTZJBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C12H15ClN2.C11H13ClN2.C11H12ClNS.3C11H14N2/c2*1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)10-13-9-7(12)5-4-6-8(9)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/h5-6,10H,7H2,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3.

What are the key properties of 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;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;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 1404.63 g/mol, XLogP of 22.52, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 157284733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).