4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine

C191H177N25O3S11 — CID 157336788

About 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine

4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine (PubChem CID 157336788) has the molecular formula C191H177N25O3S11 and a molecular weight of 3223.43 g/mol. Its IUPAC name is 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine.

Molecular Properties

• Compound Name: 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
• PubChem CID: 157336788
• Molecular Formula: C191H177N25O3S11
• Molecular Weight: 3223.43 g/mol
• Exact Mass: 3220.14
• IUPAC Name: 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
• SMILES: Cc1[nH]nc2ccccc12.Cc1cc2ccccc2s1.Cc1cc2cccnc2s1.Cc1ccc2[nH]ncc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncsc2c1.Cc1ccc2sccc2c1.Cc1ccc2scnc2c1.Cc1cccc2[nH]cnc12.Cc1cccc2[nH]ncc12.Cc1cccc2[nH]ncc12.Cc1cccc2ccoc12.Cc1cccc2ncsc12.Cc1cccc2occc12.Cc1cccc2ocnc12.Cc1cccc2sccc12.Cc1cncc2sccc12.Cc1csc2ccccc12.Cc1nc2ccccc2s1
• InChI: InChI=1S/2C9H8O.5C9H8S.9C8H8N2.C8H7NO.6C8H7NS/c1-7-3-2-4-9-8(7)5-6-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;2*1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-3-2-4-8-7(6)5-9-10-8;1-6-3-2-4-7-8(6)10-5-9-7;1-6-7-4-2-3-5-8(7)10-9-6;1-6-3-2-4-7-8(6)9-5-10-7;1-6-4-9-5-8-7(6)2-3-10-8;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-3-2-4-7-8(6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h7*2-6H,1H3;9*2-5H,1H3,(H,9,10);7*2-5H,1H3
• InChIKey: BFXUEDXBXFVHHW-UHFFFAOYSA-N
• XLogP: 56.14
• TPSA: 387.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3223.43
LogP ≤ 5	56.14
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine?

The IUPAC name of 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine (CID 157336788) is 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine.

What is the SMILES notation for 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine?

The canonical SMILES for 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine is Cc1[nH]nc2ccccc12.Cc1cc2ccccc2s1.Cc1cc2cccnc2s1.Cc1ccc2[nH]ncc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncsc2c1.Cc1ccc2sccc2c1.Cc1ccc2scnc2c1.Cc1cccc2[nH]cnc12.Cc1cccc2[nH]ncc12.Cc1cccc2[nH]ncc12.Cc1cccc2ccoc12.Cc1cccc2ncsc12.Cc1cccc2occc12.Cc1cccc2ocnc12.Cc1cccc2sccc12.Cc1cncc2sccc12.Cc1csc2ccccc12.Cc1nc2ccccc2s1.

What is the InChIKey of 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine?

The InChIKey is BFXUEDXBXFVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8O.5C9H8S.9C8H8N2.C8H7NO.6C8H7NS/c1-7-3-2-4-9-8(7)5-6-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;2*1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-3-2-4-8-7(6)5-9-10-8;1-6-3-2-4-7-8(6)10-5-9-7;1-6-7-4-2-3-5-8(7)10-9-6;1-6-3-2-4-7-8(6)9-5-10-7;1-6-4-9-5-8-7(6)2-3-10-8;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-3-2-4-7-8(6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h7*2-6H,1H3;9*2-5H,1H3,(H,9,10);7*2-5H,1H3.

What are the key properties of 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine?

4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine has a molecular weight of 3223.43 g/mol, XLogP of 56.14, 0 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine is sourced from PubChem (CID 157336788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).