1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline

C183H174N40OS2 — CID 159064581

About 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline

1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline (PubChem CID 159064581) has the molecular formula C183H174N40OS2 and a molecular weight of 3013.82 g/mol. Its IUPAC name is 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline.

Molecular Properties

• Compound Name: 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline
• PubChem CID: 159064581
• Molecular Formula: C183H174N40OS2
• Molecular Weight: 3013.82 g/mol
• Exact Mass: 3011.42
• IUPAC Name: 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline
• SMILES: Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2ccncc21.Cn1ccc2ncccc21.Cn1ccc2nccnc21.Cn1ccc2ncncc21.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1cnc2ncccc21.Cn1cnc2nccnc21.Cn1cnc2ncncc21.Cn1ncc2ccccc21
• InChI: InChI=1S/C11H10.3C10H9N.2C9H8N2.2C9H9N.C9H8O.C9H8S.5C8H8N2.C8H7NS.4C7H7N3.2C6H6N4/c1-9-6-7-10-4-2-3-5-11(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;3*1-7-6-8-4-2-3-5-9(8)10-7;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-8(10)3-2-5-9-7;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(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;1-10-5-2-6-7(10)9-4-3-8-6;1-10-3-2-6-7(10)4-8-5-9-6;1-10-5-9-7-6(10)3-2-4-8-7;1-10-5-9-6-3-2-4-8-7(6)10;1-10-4-9-6-5(10)2-7-3-8-6;1-10-4-9-5-6(10)8-3-2-7-5/h2-8H,1H3;3*2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2-6,10H,1H3;7*2-6H,1H3;5*2-5H,1H3;2*2-4H,1H3
• InChIKey: JYWXERUPNGDNJA-UHFFFAOYSA-N
• XLogP: 40.33
• TPSA: 436.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3013.82
LogP ≤ 5	40.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline?

The IUPAC name of 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline (CID 159064581) is 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline.

What is the SMILES notation for 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline?

The canonical SMILES for 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline is Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2c1.Cc1ccc2ccccc2n1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2ccncc21.Cn1ccc2ncccc21.Cn1ccc2nccnc21.Cn1ccc2ncncc21.Cn1cnc2ccccc21.Cn1cnc2cccnc21.Cn1cnc2ncccc21.Cn1cnc2nccnc21.Cn1cnc2ncncc21.Cn1ncc2ccccc21.

What is the InChIKey of 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline?

The InChIKey is JYWXERUPNGDNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.3C10H9N.2C9H8N2.2C9H9N.C9H8O.C9H8S.5C8H8N2.C8H7NS.4C7H7N3.2C6H6N4/c1-9-6-7-10-4-2-3-5-11(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;3*1-7-6-8-4-2-3-5-9(8)10-7;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-8(10)3-2-5-9-7;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(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;1-10-5-2-6-7(10)9-4-3-8-6;1-10-3-2-6-7(10)4-8-5-9-6;1-10-5-9-7-6(10)3-2-4-8-7;1-10-5-9-6-3-2-4-8-7(6)10;1-10-4-9-6-5(10)2-7-3-8-6;1-10-4-9-5-6(10)8-3-2-7-5/h2-8H,1H3;3*2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2-6,10H,1H3;7*2-6H,1H3;5*2-5H,1H3;2*2-4H,1H3.

What are the key properties of 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline?

1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline has a molecular weight of 3013.82 g/mol, XLogP of 40.33, 0 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methylimidazo[4,5-b]pyrazine;1-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-b]pyridine;1-methylindazole;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;2-methylnaphthalene;7-methylpurine;5-methylpyrrolo[2,3-b]pyrazine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;2-methylquinoxaline is sourced from PubChem (CID 159064581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).