1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

C208H337N27O8S4 — CID 159500962

About 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 159500962) has the molecular formula C208H337N27O8S4 and a molecular weight of 3472.43 g/mol. Its IUPAC name is 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
• PubChem CID: 159500962
• Molecular Formula: C208H337N27O8S4
• Molecular Weight: 3472.43 g/mol
• Exact Mass: 3469.57
• IUPAC Name: 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(=O)n(C)c1.Cc1ccc2c(c1)C(=O)N(C)C2=O.Cc1ccc2ccccc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2occc2c1.Cc1ccc2ocnc2c1.Cc1ccccn1.Cc1cccn1C.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c(=O)c1.Cc1ccn(C)n1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cn(C)cn1.Cc1cnccn1.Cc1cncn1C.Cc1cncnc1.Cc1cscn1.Cc1nccn1C.Cc1nccs1
• InChI: InChI=1S/C11H10.C10H9NO2.C10H11N.C9H10N2.C9H8O.C8H7NO.2C7H9NO.C6H9N.3C6H7N.2C5H8N2.C5H6N2.2C5H8N2.2C5H6N2.2C5H6O.2C5H6S.2C4H5NS.25C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-3-4-7-8(5-6)10(13)11(2)9(7)12;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(4-6)9-5-10-8;1-6-3-4-8(2)7(9)5-6;1-6-3-4-7(9)8(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-2-6-4-7-3-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-4-6-2-3-7-5;1-5-3-2-4-6-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-5-2-3-6-4;25*1-2/h2-8H,1H3;3-5H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2-6H,1H3;2-5H,1H3;2*3-5H,1-2H3;3-5H,1-2H3;3*2-5H,1H3;2*3-4H,1-2H3;2-4H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;4*2-4H,1H3;2*2-3H,1H3;25*1-2H3
• InChIKey: LZJNRGQZUMBNKX-UHFFFAOYSA-N
• XLogP: 61.62
• TPSA: 387.58 Ų
• H-Bond Acceptors: 38
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3472.43
LogP ≤ 5	61.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The IUPAC name of 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 159500962) is 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The canonical SMILES for 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(=O)n(C)c1.Cc1ccc2c(c1)C(=O)N(C)C2=O.Cc1ccc2ccccc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ncn(C)c2c1.Cc1ccc2occc2c1.Cc1ccc2ocnc2c1.Cc1ccccn1.Cc1cccn1C.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)c(=O)c1.Cc1ccn(C)n1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cn(C)cn1.Cc1cnccn1.Cc1cncn1C.Cc1cncnc1.Cc1cscn1.Cc1nccn1C.Cc1nccs1.

What is the InChIKey of 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The InChIKey is LZJNRGQZUMBNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H9NO2.C10H11N.C9H10N2.C9H8O.C8H7NO.2C7H9NO.C6H9N.3C6H7N.2C5H8N2.C5H6N2.2C5H8N2.2C5H6N2.2C5H6O.2C5H6S.2C4H5NS.25C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-3-4-7-8(5-6)10(13)11(2)9(7)12;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-8-7(4-6)9-5-10-8;1-6-3-4-8(2)7(9)5-6;1-6-3-4-7(9)8(2)5-6;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-2-6-4-7-3-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-4-6-2-3-7-5;1-5-3-2-4-6-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-5-2-3-6-4;25*1-2/h2-8H,1H3;3-5H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2-6H,1H3;2-5H,1H3;2*3-5H,1-2H3;3-5H,1-2H3;3*2-5H,1H3;2*3-4H,1-2H3;2-4H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;4*2-4H,1H3;2*2-3H,1H3;25*1-2H3.

What are the key properties of 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 3472.43 g/mol, XLogP of 61.62, 0 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dimethylbenzimidazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,6-dimethylindole;2,5-dimethylisoindole-1,3-dione;1,3-dimethylpyrazole;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;1,2-dimethylpyrrole;ethane;5-methyl-1-benzofuran;5-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 159500962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).