5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole

C162H202N22O2S8 — CID 158322606

About 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole

5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole (PubChem CID 158322606) has the molecular formula C162H202N22O2S8 and a molecular weight of 2746.09 g/mol. Its IUPAC name is 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole.

Molecular Properties

• Compound Name: 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole
• PubChem CID: 158322606
• Molecular Formula: C162H202N22O2S8
• Molecular Weight: 2746.09 g/mol
• Exact Mass: 2743.41
• IUPAC Name: 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole
• SMILES: Cc1[nH]c2ccccc2c1C.Cc1c(C)n(C)c2ccccc12.Cc1c2ccccc2nn1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc2ccccc2cc1C.Cc1cc2ccncc2cc1C.Cc1cc2nc[nH]c2cc1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnn(C)c1.Cc1conc1C.Cc1cscc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1sc2c(c1C)CCC2.Cc1sc2ccccc2c1C
• InChI: InChI=1S/C12H12S.C12H12.C11H13N.C11H11N.C10H11N.C10H10S.2C9H10N2.C9H12S.C6H8O.3C6H8S.6C5H8N2.C5H7NO.2C5H7NS/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-8-5-10-3-4-12-7-11(10)6-9(8)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-6-3-8-9(4-7(6)2)11-5-10-8;1-7-8-5-3-4-6-9(8)10-11(7)2;1-6-7(2)10-9-5-3-4-8(6)9;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-6-7(2)4-5;1-5-3-4-6-7(5)2;4*1-4-3-6-7-5(4)2;1-4-3-7-6-5(4)2;2*1-4-5(2)7-3-6-4/h3-8H,1-2H3;3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;3-5H2,1-2H3;6*3-4H,1-2H3;4*3H,1-2H3,(H,6,7);3*3H,1-2H3
• InChIKey: GPALHHVYRYBVRV-UHFFFAOYSA-N
• XLogP: 45.72
• TPSA: 295.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 1
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2746.09
LogP ≤ 5	45.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole?

The IUPAC name of 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole (CID 158322606) is 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole.

What is the SMILES notation for 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole?

The canonical SMILES for 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole is Cc1[nH]c2ccccc2c1C.Cc1c(C)n(C)c2ccccc12.Cc1c2ccccc2nn1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc2ccccc2cc1C.Cc1cc2ccncc2cc1C.Cc1cc2nc[nH]c2cc1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnn(C)c1.Cc1conc1C.Cc1cscc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1sc2c(c1C)CCC2.Cc1sc2ccccc2c1C.

What is the InChIKey of 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole?

The InChIKey is GPALHHVYRYBVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S.C12H12.C11H13N.C11H11N.C10H11N.C10H10S.2C9H10N2.C9H12S.C6H8O.3C6H8S.6C5H8N2.C5H7NO.2C5H7NS/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-8-5-10-3-4-12-7-11(10)6-9(8)2;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-6-3-8-9(4-7(6)2)11-5-10-8;1-7-8-5-3-4-6-9(8)10-11(7)2;1-6-7(2)10-9-5-3-4-8(6)9;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-6-7(2)4-5;1-5-3-4-6-7(5)2;4*1-4-3-6-7-5(4)2;1-4-3-7-6-5(4)2;2*1-4-5(2)7-3-6-4/h3-8H,1-2H3;3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-6H,1-2H3;3-5H2,1-2H3;6*3-4H,1-2H3;4*3H,1-2H3,(H,6,7);3*3H,1-2H3.

What are the key properties of 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole?

5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole has a molecular weight of 2746.09 g/mol, XLogP of 45.72, 1 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole is sourced from PubChem (CID 158322606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).