2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)

C101H137N11OS2 — CID 157052667

About 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)

2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene) (PubChem CID 157052667) has the molecular formula C101H137N11OS2 and a molecular weight of 1585.42 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene).

Molecular Properties

• Compound Name: 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)
• PubChem CID: 157052667
• Molecular Formula: C101H137N11OS2
• Molecular Weight: 1585.42 g/mol
• Exact Mass: 1584.04
• IUPAC Name: 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)
• SMILES: C.C.C.C.C.C.C.Cc1ccc(C)s1.Cc1ccc2cc(C)n(C)c2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)n(C)c2c1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cnc2ncnc(C)c2n1
• InChI: InChI=1S/C11H13N.C10H12N2.C10H10O.C10H10S.C9H10N2.C8H8N4.2C8H10.2C7H9N.C6H8S.7CH4/c1-8-4-5-10-7-9(2)12(3)11(10)6-8;1-7-4-5-9-10(6-7)12(3)8(2)11-9;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-9-8-7(12-5)6(2)10-4-11-8;2*1-7-4-3-5-8(2)6-7;2*1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;;;;;;;/h4-7H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-4H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;7*1H4
• InChIKey: AAJVKFICEWCMAJ-UHFFFAOYSA-N
• XLogP: 29.59
• TPSA: 141.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1585.42
LogP ≤ 5	29.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)?

The IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene) (CID 157052667) is 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene).

What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)?

The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene) is C.C.C.C.C.C.C.Cc1ccc(C)s1.Cc1ccc2cc(C)n(C)c2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)n(C)c2c1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cnc2ncnc(C)c2n1.

What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)?

The InChIKey is AAJVKFICEWCMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H12N2.C10H10O.C10H10S.C9H10N2.C8H8N4.2C8H10.2C7H9N.C6H8S.7CH4/c1-8-4-5-10-7-9(2)12(3)11(10)6-8;1-7-4-5-9-10(6-7)12(3)8(2)11-9;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-9-8-7(12-5)6(2)10-4-11-8;2*1-7-4-3-5-8(2)6-7;2*1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;;;;;;;/h4-7H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-4H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;7*1H4.

What are the key properties of 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)?

2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene) has a molecular weight of 1585.42 g/mol, XLogP of 29.59, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene) is sourced from PubChem (CID 157052667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).