2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole

C151H171N17O12S — CID 158380922

About 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole

2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole (PubChem CID 158380922) has the molecular formula C151H171N17O12S and a molecular weight of 2448.20 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole
• PubChem CID: 158380922
• Molecular Formula: C151H171N17O12S
• Molecular Weight: 2448.20 g/mol
• Exact Mass: 2446.30
• IUPAC Name: 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole
• SMILES: COCCOc1cc(C)ccn1.COCCn1ccc(C)cc1=O.COc1ccc2oc(C)cc2c1.COc1cccc2cc(C)oc12.Cc1cc2cc(O)ccc2[nH]1.Cc1cc2ccccc2n1C.Cc1ccc(C(C)C)[nH]c1=O.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1ccn(C(C)C)c(=O)c1.Cc1cn(C)c2ccccc12.Cc1cn(C)c2cccnc12.Cc1cn(C)c2cccnc12.Cc1csc(-c2ccncc2)n1.Cc1nccc2ccccc12.Cc1oc2ccccc2c1C
• InChI: InChI=1S/3C10H11N.C10H9N.2C10H10O2.C10H10O.C9H8N2S.3C9H10N2.2C9H13NO2.C9H9NO.2C9H13NO/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-10-5-3-2-4-9(10)6-7-11-8;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-6-8-4-3-5-9(11-2)10(8)12-7;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-6-12-9(11-7)8-2-4-10-5-3-8;1-6-3-4-9-8(5-6)7(2)10-11-9;2*1-7-6-11(2)8-4-3-5-10-9(7)8;1-8-3-4-10-9(7-8)12-6-5-11-2;1-8-3-4-10(5-6-12-2)9(11)7-8;1-6-4-7-5-8(11)2-3-9(7)10-6;1-7(2)10-5-4-8(3)6-9(10)11;1-6(2)8-5-4-7(3)9(11)10-8/h3-6,11H,1-2H3;2*3-7H,1-2H3;2-7H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;3-5H,1-2H3,(H,10,11);2*3-6H,1-2H3;2*3-4,7H,5-6H2,1-2H3;2-5,10-11H,1H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11)
• InChIKey: GVTWAJNSRZORDA-UHFFFAOYSA-N
• XLogP: 35.25
• TPSA: 339.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.20
LogP ≤ 5	35.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole?

The IUPAC name of 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole (CID 158380922) is 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole.

What is the SMILES notation for 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole?

The canonical SMILES for 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole is COCCOc1cc(C)ccn1.COCCn1ccc(C)cc1=O.COc1ccc2oc(C)cc2c1.COc1cccc2cc(C)oc12.Cc1cc2cc(O)ccc2[nH]1.Cc1cc2ccccc2n1C.Cc1ccc(C(C)C)[nH]c1=O.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1ccn(C(C)C)c(=O)c1.Cc1cn(C)c2ccccc12.Cc1cn(C)c2cccnc12.Cc1cn(C)c2cccnc12.Cc1csc(-c2ccncc2)n1.Cc1nccc2ccccc12.Cc1oc2ccccc2c1C.

What is the InChIKey of 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole?

The InChIKey is GVTWAJNSRZORDA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H11N.C10H9N.2C10H10O2.C10H10O.C9H8N2S.3C9H10N2.2C9H13NO2.C9H9NO.2C9H13NO/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-8-7-9-5-3-4-6-10(9)11(8)2;1-8-10-5-3-2-4-9(10)6-7-11-8;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-6-8-4-3-5-9(11-2)10(8)12-7;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-6-12-9(11-7)8-2-4-10-5-3-8;1-6-3-4-9-8(5-6)7(2)10-11-9;2*1-7-6-11(2)8-4-3-5-10-9(7)8;1-8-3-4-10-9(7-8)12-6-5-11-2;1-8-3-4-10(5-6-12-2)9(11)7-8;1-6-4-7-5-8(11)2-3-9(7)10-6;1-7(2)10-5-4-8(3)6-9(10)11;1-6(2)8-5-4-7(3)9(11)10-8/h3-6,11H,1-2H3;2*3-7H,1-2H3;2-7H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;3-5H,1-2H3,(H,10,11);2*3-6H,1-2H3;2*3-4,7H,5-6H2,1-2H3;2-5,10-11H,1H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11).

What are the key properties of 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole?

2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 2448.20 g/mol, XLogP of 35.25, 12 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-1-benzofuran;3,5-dimethyl-2H-indazole;1,2-dimethylindole;1,3-dimethylindole;2,5-dimethyl-1H-indole;bis(1,3-dimethylpyrrolo[3,2-b]pyridine);2-(2-methoxyethoxy)-4-methylpyridine;1-(2-methoxyethyl)-4-methylpyridin-2-one;5-methoxy-2-methyl-1-benzofuran;7-methoxy-2-methyl-1-benzofuran;2-methyl-1H-indol-5-ol;1-methylisoquinoline;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methyl-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 158380922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).