6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole

C112H96Cl11N17S3 — CID 160784379

About 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole

6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole (PubChem CID 160784379) has the molecular formula C112H96Cl11N17S3 and a molecular weight of 2166.30 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole.

Molecular Properties

• Compound Name: 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole
• PubChem CID: 160784379
• Molecular Formula: C112H96Cl11N17S3
• Molecular Weight: 2166.30 g/mol
• Exact Mass: 2159.38
• IUPAC Name: 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole
• SMILES: Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2nc(Cl)ccc2c1.Cc1nc2ccc(Cl)cc2[nH]1
• InChI: InChI=1S/2C10H8ClN.2C9H8ClN.C9H7ClS.C9H9N.4C8H7ClN2.2C8H6ClNS.C8H8N2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-5-8(10)2-3-9(7)11-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-2-3-8-7(4-6)5-9-10-8/h2*2-6H,1H3;2*2-5,11H,1H3;2-5H,1H3;2-6,10H,1H3;2-4,11H,1H3;3*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-5H,1H3,(H,9,10)
• InChIKey: SAZYFCMLNUUHTA-UHFFFAOYSA-N
• XLogP: 37.48
• TPSA: 242.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.30
LogP ≤ 5	37.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole?

The IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole (CID 160784379) is 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole.

What is the SMILES notation for 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole?

The canonical SMILES for 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole is Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2nc(Cl)ccc2c1.Cc1nc2ccc(Cl)cc2[nH]1.

What is the InChIKey of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole?

The InChIKey is SAZYFCMLNUUHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8ClN.2C9H8ClN.C9H7ClS.C9H9N.4C8H7ClN2.2C8H6ClNS.C8H8N2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-5-8(10)2-3-9(7)11-6;1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-2-3-8-7(4-6)5-9-10-8/h2*2-6H,1H3;2*2-5,11H,1H3;2-5H,1H3;2-6,10H,1H3;2-4,11H,1H3;3*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-5H,1H3,(H,9,10).

What are the key properties of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole?

6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole has a molecular weight of 2166.30 g/mol, XLogP of 37.48, 0 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;5-methyl-1H-indazole;5-methyl-1H-indole is sourced from PubChem (CID 160784379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).