2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole

C208H222N16O7S7 — CID 159726305

About 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole

2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole (PubChem CID 159726305) has the molecular formula C208H222N16O7S7 and a molecular weight of 3282.64 g/mol. Its IUPAC name is 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole
• PubChem CID: 159726305
• Molecular Formula: C208H222N16O7S7
• Molecular Weight: 3282.64 g/mol
• Exact Mass: 3279.56
• IUPAC Name: 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole
• SMILES: Cc1ccc2c(C)cn(C)c2c1.Cc1ccc2c(C)coc2c1.Cc1ccc2c(C)csc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(C)noc2c1.Cc1ccc2c(C)nsc2c1.Cc1ccc2c(c1)c(C)cn2C.Cc1ccc2c(c1)c(C)nn2C.Cc1ccc2c(c1)cc(C)n2C.Cc1ccc2cc(C)n(C)c2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2nc(C)n(C)c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2occ(C)c2c1.Cc1ccc2onc(C)c2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2scc(C)c2c1.Cc1ccc2snc(C)c2c1
• InChI: InChI=1S/4C11H13N.3C10H12N2.4C10H10O.4C10H10S.3C9H9NO.3C9H9NS/c1-8-4-5-11-10(6-8)9(2)7-12(11)3;1-8-4-5-11-10(6-8)7-9(2)12(11)3;1-8-4-5-10-9(2)7-12(3)11(10)6-8;1-8-4-5-10-7-9(2)12(3)11(10)6-8;1-7-4-5-10-9(6-7)8(2)11-12(10)3;1-7-4-5-9-10(6-7)12(3)8(2)11-9;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-7-3-4-10-9(5-7)8(2)6-11-10;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;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-10-9(5-7)8(2)6-11-10;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;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-8-7(2)10-11-9(8)5-6/h4*4-7H,1-3H3;3*4-6H,1-3H3;8*3-6H,1-2H3;6*3-5H,1-2H3
• InChIKey: NARGYTFCMADVOB-UHFFFAOYSA-N
• XLogP: 60.10
• TPSA: 242.50 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3282.64
LogP ≤ 5	60.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole?

The IUPAC name of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole (CID 159726305) is 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole.

What is the SMILES notation for 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole?

The canonical SMILES for 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole is Cc1ccc2c(C)cn(C)c2c1.Cc1ccc2c(C)coc2c1.Cc1ccc2c(C)csc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(C)noc2c1.Cc1ccc2c(C)nsc2c1.Cc1ccc2c(c1)c(C)cn2C.Cc1ccc2c(c1)c(C)nn2C.Cc1ccc2c(c1)cc(C)n2C.Cc1ccc2cc(C)n(C)c2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2nc(C)n(C)c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2occ(C)c2c1.Cc1ccc2onc(C)c2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2scc(C)c2c1.Cc1ccc2snc(C)c2c1.

What is the InChIKey of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole?

The InChIKey is NARGYTFCMADVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H13N.3C10H12N2.4C10H10O.4C10H10S.3C9H9NO.3C9H9NS/c1-8-4-5-11-10(6-8)9(2)7-12(11)3;1-8-4-5-11-10(6-8)7-9(2)12(11)3;1-8-4-5-10-9(2)7-12(3)11(10)6-8;1-8-4-5-10-7-9(2)12(3)11(10)6-8;1-7-4-5-10-9(6-7)8(2)11-12(10)3;1-7-4-5-9-10(6-7)12(3)8(2)11-9;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-7-3-4-10-9(5-7)8(2)6-11-10;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;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-10-9(5-7)8(2)6-11-10;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;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-8-7(2)10-11-9(8)5-6/h4*4-7H,1-3H3;3*4-6H,1-3H3;8*3-6H,1-2H3;6*3-5H,1-2H3.

What are the key properties of 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole?

2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole has a molecular weight of 3282.64 g/mol, XLogP of 60.10, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;3,5-dimethyl-1,2-benzothiazole;3,6-dimethyl-1,2-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,5-dimethyl-1,2-benzoxazole;3,6-dimethyl-1,2-benzoxazole;1,2,6-trimethylbenzimidazole;1,3,5-trimethylindazole;1,3,6-trimethylindazole;1,2,5-trimethylindole;1,2,6-trimethylindole;1,3,5-trimethylindole;1,3,6-trimethylindole is sourced from PubChem (CID 159726305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).