1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole

C₈₀H₇₇N₁₇O₃ — CID 157101861

About 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole

1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole (PubChem CID 157101861) has the molecular formula C₈₀H₇₇N₁₇O₃ and a molecular weight of 1324.61 g/mol. Its IUPAC name is 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole.

Molecular Properties

• Compound Name: 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole
• PubChem CID: 157101861
• Molecular Formula: C₈₀H₇₇N₁₇O₃
• Molecular Weight: 1324.61 g/mol
• Exact Mass: 1323.64
• IUPAC Name: 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole
• SMILES: Cc1[nH]nc2ccccc12.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cn1cnc2ccccc21
• InChI: InChI=1S/7C8H8N2.3C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h4*2-5H,1H3,(H,9,10);2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3
• InChIKey: AFVVSYGHCOUFGS-UHFFFAOYSA-N
• XLogP: 19.21
• TPSA: 267.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1324.61
LogP ≤ 5	19.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?

The IUPAC name of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole (CID 157101861) is 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole.

What is the SMILES notation for 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?

The canonical SMILES for 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole is Cc1[nH]nc2ccccc12.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cn1cnc2ccccc21.

What is the InChIKey of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?

The InChIKey is AFVVSYGHCOUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/7C8H8N2.3C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-10-6-9-7-4-2-3-5-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6/h4*2-5H,1H3,(H,9,10);2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3.

What are the key properties of 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole?

1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole has a molecular weight of 1324.61 g/mol, XLogP of 19.21, 0 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole is sourced from PubChem (CID 157101861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157101861 — identifiers, structure, computed properties (public domain)

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