2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine

C90H88N10O3S2 — CID 157343938

About 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine

2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine (PubChem CID 157343938) has the molecular formula C90H88N10O3S2 and a molecular weight of 1421.89 g/mol. Its IUPAC name is 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
• PubChem CID: 157343938
• Molecular Formula: C90H88N10O3S2
• Molecular Weight: 1421.89 g/mol
• Exact Mass: 1420.65
• IUPAC Name: 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
• SMILES: Cc1[nH]c2cc(O)ccc2c1C.Cc1cc2cccnc2s1.Cc1cc2ncccc2s1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2cnccc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C#N)c1.Cc1nc2ccc(O)cc2[nH]1.[C-]#[N+]c1ccc(C)cc1
• InChI: InChI=1S/C10H11NO.2C10H11N.C10H9N.C10H10O.C8H8N2O.2C8H7NS.2C8H7N/c1-6-7(2)11-10-5-8(12)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-2-3-10-7-11-5-4-9(10)6-8;1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-9-7-3-2-6(11)4-8(7)10-5;1-6-5-7-8(10-6)3-2-4-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9/h3-5,11-12H,1-2H3;2*3-6,11H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-4,11H,1H3,(H,9,10);2*2-5H,1H3;3-6H,1H3;2-5H,1H3
• InChIKey: BGSOTGFBHCCUTE-UHFFFAOYSA-N
• XLogP: 24.85
• TPSA: 196.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1421.89
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The IUPAC name of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine (CID 157343938) is 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine.

What is the SMILES notation for 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The canonical SMILES for 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine is Cc1[nH]c2cc(O)ccc2c1C.Cc1cc2cccnc2s1.Cc1cc2ncccc2s1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2cnccc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C#N)c1.Cc1nc2ccc(O)cc2[nH]1.[C-]#[N+]c1ccc(C)cc1.

What is the InChIKey of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The InChIKey is BGSOTGFBHCCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.2C10H11N.C10H9N.C10H10O.C8H8N2O.2C8H7NS.2C8H7N/c1-6-7(2)11-10-5-8(12)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-2-3-10-7-11-5-4-9(10)6-8;1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-9-7-3-2-6(11)4-8(7)10-5;1-6-5-7-8(10-6)3-2-4-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9/h3-5,11-12H,1-2H3;2*3-6,11H,1-2H3;2-7H,1H3;3-6H,1-2H3;2-4,11H,1H3,(H,9,10);2*2-5H,1H3;3-6H,1H3;2-5H,1H3.

What are the key properties of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine has a molecular weight of 1421.89 g/mol, XLogP of 24.85, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;6-methylisoquinoline;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 157343938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).