2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole

C207H240N36O3S5 — CID 158602333

About 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole

2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole (PubChem CID 158602333) has the molecular formula C207H240N36O3S5 and a molecular weight of 3440.78 g/mol. Its IUPAC name is 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole
• PubChem CID: 158602333
• Molecular Formula: C207H240N36O3S5
• Molecular Weight: 3440.78 g/mol
• Exact Mass: 3437.83
• IUPAC Name: 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole
• SMILES: CC1=Nc2cc(C)ccc2C1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)s1.Cc1ccc2c(c1)nc(-c1cc(C)c(C)c(C)c1)n2C.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(-c3cc(C)c(C)c(C)c3)nc2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1cnc(C)cn1.Cc1cnc(C)n1C.Cc1cnc(C)nc1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1ncc2c(n1)nc(-c1cc(C)c(C)c(C)c1)n2C.Cc1ncc2c(n1)nc(C)n2C.Cc1ncnc(C)n1
• InChI: InChI=1S/C18H20N2.C17H17NS.C16H18N4.C11H11N.C10H12N2.2C10H10N2.C10H11N.C10H10O.C10H10S.C9H9NO.C9H9NS.C8H10N4.C7H11N.C7H9N.C6H10N2.3C6H8N2.C6H8S.C5H7N3.C5H7NO.C5H7NS/c1-11-6-7-17-16(8-11)19-18(20(17)5)15-9-12(2)14(4)13(3)10-15;1-10-5-6-16-15(7-10)18-17(19-16)14-8-11(2)13(4)12(3)9-14;1-9-6-13(7-10(2)11(9)3)16-19-15-14(20(16)5)8-17-12(4)18-15;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-9-4-7-8(10-5)11-6(2)12(7)3;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-5-4-7-6(2)8(5)3;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(2)7-5;1-4-6-3-7-5(2)8-4;2*1-4-3-6-5(2)7-4/h6-10H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,6H2,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;4H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;4H,1-3H3;3*3-4H,1-2H3;3-4H,1-2H3;3H,1-2H3;2*3H,1-2H3
• InChIKey: HVUHSUKSRZJOKT-UHFFFAOYSA-N
• XLogP: 51.58
• TPSA: 455.17 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 3
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3440.78
LogP ≤ 5	51.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole?

The IUPAC name of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole (CID 158602333) is 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole.

What is the SMILES notation for 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole?

The canonical SMILES for 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole is CC1=Nc2cc(C)ccc2C1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)s1.Cc1ccc2c(c1)nc(-c1cc(C)c(C)c(C)c1)n2C.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(C)cnc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(-c3cc(C)c(C)c(C)c3)nc2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1cnc(C)cn1.Cc1cnc(C)n1C.Cc1cnc(C)nc1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1ncc2c(n1)nc(-c1cc(C)c(C)c(C)c1)n2C.Cc1ncc2c(n1)nc(C)n2C.Cc1ncnc(C)n1.

What is the InChIKey of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole?

The InChIKey is HVUHSUKSRZJOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C17H17NS.C16H18N4.C11H11N.C10H12N2.2C10H10N2.C10H11N.C10H10O.C10H10S.C9H9NO.C9H9NS.C8H10N4.C7H11N.C7H9N.C6H10N2.3C6H8N2.C6H8S.C5H7N3.C5H7NO.C5H7NS/c1-11-6-7-17-16(8-11)19-18(20(17)5)15-9-12(2)14(4)13(3)10-15;1-10-5-6-16-15(7-10)18-17(19-16)14-8-11(2)13(4)12(3)9-14;1-9-6-13(7-10(2)11(9)3)16-19-15-14(20(16)5)8-17-12(4)18-15;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-3-4-10-9(5-7)6-8(2)11-10;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-9-4-7-8(10-5)11-6(2)12(7)3;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-5-4-7-6(2)8(5)3;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(2)7-5;1-4-6-3-7-5(2)8-4;2*1-4-3-6-5(2)7-4/h6-10H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,6H2,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;4H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;4H,1-3H3;3*3-4H,1-2H3;3-4H,1-2H3;3H,1-2H3;2*3H,1-2H3.

What are the key properties of 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole?

2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole has a molecular weight of 3440.78 g/mol, XLogP of 51.58, 3 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-3H-indole;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,7-dimethylquinazoline;2,6-dimethylquinoline;2,6-dimethylquinoxaline;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;1,5-dimethyl-2-(3,4,5-trimethylphenyl)benzimidazole;2,7-dimethyl-8-(3,4,5-trimethylphenyl)purine;5-methyl-2-(3,4,5-trimethylphenyl)-1,3-benzothiazole;1,2,5-trimethylbenzimidazole;1,2,5-trimethylimidazole;2,7,8-trimethylpurine;1,2,5-trimethylpyrrole is sourced from PubChem (CID 158602333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).