6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole

C79H78ClF2N5O3S2 — CID 158033089

About 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole

6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole (PubChem CID 158033089) has the molecular formula C79H78ClF2N5O3S2 and a molecular weight of 1283.11 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole
• PubChem CID: 158033089
• Molecular Formula: C79H78ClF2N5O3S2
• Molecular Weight: 1283.11 g/mol
• Exact Mass: 1281.52
• IUPAC Name: 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole
• SMILES: Cc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1.Cc1nc2ccc(Cl)cc2[nH]1
• InChI: InChI=1S/C12H12.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H9NS.C8H7ClN2/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-6-3-8-4-7(2)12-10(8)5-9(6)11;2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8;1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-10-7-3-2-6(9)4-8(7)11-5/h3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2-4H,1H3,(H,10,11)
• InChIKey: FHKNGTGIZNYMRK-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.11
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?

The IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole (CID 158033089) is 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole.

What is the SMILES notation for 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?

The canonical SMILES for 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole is Cc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1.Cc1nc2ccc(Cl)cc2[nH]1.

What is the InChIKey of 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?

The InChIKey is FHKNGTGIZNYMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H9NS.C8H7ClN2/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-6-3-8-4-7(2)12-10(8)5-9(6)11;2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8;1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-10-7-3-2-6(9)4-8(7)11-5/h3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2-4H,1H3,(H,10,11).

What are the key properties of 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?

6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole has a molecular weight of 1283.11 g/mol, XLogP of 23.36, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 158033089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).