2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole

C96H96N22OS3 — CID 159506164

About 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole

2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole (PubChem CID 159506164) has the molecular formula C96H96N22OS3 and a molecular weight of 1670.18 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole.

Molecular Properties

• Compound Name: 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole
• PubChem CID: 159506164
• Molecular Formula: C96H96N22OS3
• Molecular Weight: 1670.18 g/mol
• Exact Mass: 1668.73
• IUPAC Name: 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole
• SMILES: Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CCN2.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2nsnc2c1.Cc1ccc2scnc2c1
• InChI: InChI=1S/C9H10N2.C9H11N.C9H9N.C8H9N3.2C8H8N2.C8H7NO.2C8H7NS.2C7H7N3.C7H6N2S/c1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)11-10-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;3*1-5-2-3-6-7(4-5)9-10-8-6/h3-5H,1-2H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-4H,1H3,(H3,9,10,11);2*2-5H,1H3,(H,9,10);3*2-5H,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3
• InChIKey: MAAARGBTECEYMP-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 329.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1670.18
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole?

The IUPAC name of 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole (CID 159506164) is 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole.

What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole?

The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole is Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CCN2.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncsc2c1.Cc1ccc2nsnc2c1.Cc1ccc2scnc2c1.

What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole?

The InChIKey is MAAARGBTECEYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H11N.C9H9N.C8H9N3.2C8H8N2.C8H7NO.2C8H7NS.2C7H7N3.C7H6N2S/c1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-7-2-3-9-8(6-7)4-5-10-9;1-5-2-3-7-6(4-5)8(9)11-10-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;3*1-5-2-3-6-7(4-5)9-10-8-6/h3-5H,1-2H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-4H,1H3,(H3,9,10,11);2*2-5H,1H3,(H,9,10);3*2-5H,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3.

What are the key properties of 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole?

2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole has a molecular weight of 1670.18 g/mol, XLogP of 23.69, 0 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-1H-benzimidazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole is sourced from PubChem (CID 159506164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).