5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane

C81H85Cl2N5O3S2 — CID 158371572

About 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane

5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane (PubChem CID 158371572) has the molecular formula C81H85Cl2N5O3S2 and a molecular weight of 1311.64 g/mol. Its IUPAC name is 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane.

Molecular Properties

• Compound Name: 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane
• PubChem CID: 158371572
• Molecular Formula: C81H85Cl2N5O3S2
• Molecular Weight: 1311.64 g/mol
• Exact Mass: 1309.55
• IUPAC Name: 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane
• SMILES: C.Cc1cc2cc(Cl)c(C)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(Cl)c(C)cc2s1
• InChI: InChI=1S/C12H12.C11H11N.C10H9ClO.C10H12O.C10H10O.C9H8ClNS.C9H10N2.C9H9NS.CH4/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;1-6-3-10-8(5-9(6)11)4-7(2)12-10;2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-3-9-8(4-7(5)10)11-6(2)12-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;/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,(H,10,11);3-5H,1-2H3;1H4
• InChIKey: GURFXCIHFOTNAY-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1311.64
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane?

The IUPAC name of 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane (CID 158371572) is 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane.

What is the SMILES notation for 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane?

The canonical SMILES for 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane is C.Cc1cc2cc(Cl)c(C)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(Cl)c(C)cc2s1.

What is the InChIKey of 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane?

The InChIKey is GURFXCIHFOTNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H11N.C10H9ClO.C10H12O.C10H10O.C9H8ClNS.C9H10N2.C9H9NS.CH4/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;1-6-3-10-8(5-9(6)11)4-7(2)12-10;2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-3-9-8(4-7(5)10)11-6(2)12-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;/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,(H,10,11);3-5H,1-2H3;1H4.

What are the key properties of 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane?

5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane has a molecular weight of 1311.64 g/mol, XLogP of 24.67, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-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;methane is sourced from PubChem (CID 158371572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).