2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline

C220H208N48OS — CID 167701100

About 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline

2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline (PubChem CID 167701100) has the molecular formula C220H208N48OS and a molecular weight of 3572.49 g/mol. Its IUPAC name is 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline.

Molecular Properties

• Compound Name: 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline
• PubChem CID: 167701100
• Molecular Formula: C220H208N48OS
• Molecular Weight: 3572.49 g/mol
• Exact Mass: 3569.74
• IUPAC Name: 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline
• SMILES: Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2ccccc12.Cc1cccc2cccnc12.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1nc2ccccc2[nH]1.Cc1ncc2ccccc2n1.Cc1nccc2cncnc12.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2cccnc21.Cn1ccc2ccncc21.Cn1ccc2ncncc21.Cn1cnc2cccnc21.Cn1cnc2cccnc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2cccnc21.Cn1ncc2cccnc21.Cn1ncc2ccncc21
• InChI: InChI=1S/C11H10.6C10H9N.2C9H8N2.C9H9N.C9H8O.C9H8S.C8H7N3.5C8H8N2.8C7H7N3/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-10-7-6-8-4-2-3-5-9(8)10;2*1-7-6-8-4-2-3-5-9(8)10-7;1-6-8-7(2-3-10-6)4-9-5-11-8;1-10-5-3-7-2-4-9-6-8(7)10;2*1-10-6-4-7-3-2-5-9-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-9-7-4-2-3-5-8(7)10-6;1-10-3-2-6-7(10)4-8-5-9-6;1-10-5-9-6-2-3-8-4-7(6)10;1-10-7-5-8-3-2-6(7)4-9-10;3*1-10-5-9-6-3-2-4-8-7(6)10;2*1-10-7-6(5-9-10)3-2-4-8-7/h2-8H,1H3;6*2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2*2-6H,1H3;2-5H,1H3;4*2-6H,1H3;2-5H,1H3,(H,9,10);8*2-5H,1H3
• InChIKey: YKAVYODETMNGNQ-UHFFFAOYSA-N
• XLogP: 47.66
• TPSA: 531.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 49
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3572.49
LogP ≤ 5	47.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline?

The IUPAC name of 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline (CID 167701100) is 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline.

What is the SMILES notation for 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline?

The canonical SMILES for 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline is Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2ccccc12.Cc1cccc2cccnc12.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1nc2ccccc2[nH]1.Cc1ncc2ccccc2n1.Cc1nccc2cncnc12.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2cccnc21.Cn1ccc2ccncc21.Cn1ccc2ncncc21.Cn1cnc2cccnc21.Cn1cnc2cccnc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2cccnc21.Cn1ncc2cccnc21.Cn1ncc2ccncc21.

What is the InChIKey of 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline?

The InChIKey is YKAVYODETMNGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.6C10H9N.2C9H8N2.C9H9N.C9H8O.C9H8S.C8H7N3.5C8H8N2.8C7H7N3/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-3-2-4-9-5-6-11-7-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-10-7-6-8-4-2-3-5-9(8)10;2*1-7-6-8-4-2-3-5-9(8)10-7;1-6-8-7(2-3-10-6)4-9-5-11-8;1-10-5-3-7-2-4-9-6-8(7)10;2*1-10-6-4-7-3-2-5-9-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-9-7-4-2-3-5-8(7)10-6;1-10-3-2-6-7(10)4-8-5-9-6;1-10-5-9-6-2-3-8-4-7(6)10;1-10-7-5-8-3-2-6(7)4-9-10;3*1-10-5-9-6-3-2-4-8-7(6)10;2*1-10-7-6(5-9-10)3-2-4-8-7/h2-8H,1H3;6*2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2*2-6H,1H3;2-5H,1H3;4*2-6H,1H3;2-5H,1H3,(H,9,10);8*2-5H,1H3.

What are the key properties of 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline?

2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline has a molecular weight of 3572.49 g/mol, XLogP of 47.66, 0 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;tris(3-methylimidazo[4,5-b]pyridine);3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylnaphthalene;bis(1-methylpyrazolo[5,4-b]pyridine);1-methylpyrazolo[5,4-c]pyridine;8-methylpyrido[3,4-d]pyrimidine;bis(1-methylpyrrolo[2,3-b]pyridine);1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;8-methylquinoline;2-methylquinoxaline is sourced from PubChem (CID 167701100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).