bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline

C192H177N35O2S2 — CID 159408513

About bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline

bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline (PubChem CID 159408513) has the molecular formula C192H177N35O2S2 and a molecular weight of 3070.90 g/mol. Its IUPAC name is bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline.

Molecular Properties

• Compound Name: bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline
• PubChem CID: 159408513
• Molecular Formula: C192H177N35O2S2
• Molecular Weight: 3070.90 g/mol
• Exact Mass: 3068.43
• IUPAC Name: bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline
• SMILES: Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2cccnc12.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1ncnc2cncnc12.Cn1ccc2ccccc21.Cn1ccc2nccnc21.Cn1cnc2nccnc21.Cn1ncc2nccnc21
• InChI: InChI=1S/8C10H9N.2C9H8N2.2C9H9N.C9H8O.C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C7H7N3.2C6H6N4/c1-8-4-2-6-10-9(8)5-3-7-11-10;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;1-8-6-7-11-10-5-3-2-4-9(8)10;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;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-7-6(10-4-9-5)2-8-3-11-7;1-10-5-2-6-7(10)9-4-3-8-6;1-10-4-9-5-6(10)8-3-2-7-5;1-10-6-5(4-9-10)7-2-3-8-6/h8*2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2-6,10H,1H3;2*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3
• InChIKey: LOGUMVHGCZVAKV-UHFFFAOYSA-N
• XLogP: 45.73
• TPSA: 454.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3070.90
LogP ≤ 5	45.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline?

The IUPAC name of bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline (CID 159408513) is bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline.

What is the SMILES notation for bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline?

The canonical SMILES for bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline is Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2cccnc12.Cc1cccc2ccncc12.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1ncnc2cncnc12.Cn1ccc2ccccc21.Cn1ccc2nccnc21.Cn1cnc2nccnc21.Cn1ncc2nccnc21.

What is the InChIKey of bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline?

The InChIKey is LOGUMVHGCZVAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/8C10H9N.2C9H8N2.2C9H9N.C9H8O.C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C7H7N3.2C6H6N4/c1-8-4-2-6-10-9(8)5-3-7-11-10;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;1-8-6-7-11-10-5-3-2-4-9(8)10;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;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-7-6(10-4-9-5)2-8-3-11-7;1-10-5-2-6-7(10)9-4-3-8-6;1-10-4-9-5-6(10)8-3-2-7-5;1-10-6-5(4-9-10)7-2-3-8-6/h8*2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2-6,10H,1H3;2*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3.

What are the key properties of bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline?

bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline has a molecular weight of 3070.90 g/mol, XLogP of 45.73, 0 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methylimidazo[4,5-b]pyrazine;1-methylindole;2-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;1-methylpyrazolo[3,4-b]pyrazine;4-methylpyrimido[5,4-d]pyrimidine;5-methylpyrrolo[2,3-b]pyrazine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methylquinoxaline is sourced from PubChem (CID 159408513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).