6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole

C179H141N23O16S8 — CID 159162303

About 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole

6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole (PubChem CID 159162303) has the molecular formula C179H141N23O16S8 and a molecular weight of 3126.78 g/mol. Its IUPAC name is 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole
• PubChem CID: 159162303
• Molecular Formula: C179H141N23O16S8
• Molecular Weight: 3126.78 g/mol
• Exact Mass: 3123.87
• IUPAC Name: 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole
• SMILES: Cc1ccc(-c2nc3cc(-c4ccc5oc(C)nc5c4)ccc3o2)cn1.Cc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5sc(C)nc5c4)ccc3s2)cn1.Cc1nc2cc(S(=O)(=O)c3ccc4oc(-c5ccc(C)c(C)c5)nc4c3)ccc2o1.Cc1nc2ccc(-c3ccc4nc(-c5ccc(C)c(C)c5)oc4c3)cc2o1.Cc1nc2ccc(-c3ccc4nc(-c5ccc(C)c(C)c5)sc4c3)cc2s1.Cc1nc2ccc(-c3ccc4nc(-c5cnc(C)c(C)c5)[nH]c4c3)cc2[nH]1.Cc1nc2ccc(S(=O)(=O)c3ccc4nc(-c5ccc(C)c(C)c5)[nH]c4c3)cc2[nH]1.Cc1nc2ccc(S(=O)(=O)c3ccc4nc(-c5ccc(C)c(C)c5)oc4c3)cc2o1
• InChI: InChI=1S/C23H20N4O2S.2C23H18N2O4S.C23H18N2O2.C23H18N2S2.C22H19N5.C21H15N3O2S3.C21H15N3O2/c1-13-4-5-16(10-14(13)2)23-26-20-9-7-18(12-22(20)27-23)30(28,29)17-6-8-19-21(11-17)25-15(3)24-19;1-13-4-5-16(10-14(13)2)23-25-20-12-18(7-9-22(20)29-23)30(26,27)17-6-8-21-19(11-17)24-15(3)28-21;1-13-4-5-16(10-14(13)2)23-25-20-9-7-18(12-22(20)29-23)30(26,27)17-6-8-19-21(11-17)28-15(3)24-19;2*1-13-4-5-18(10-14(13)2)23-25-20-9-7-17(12-22(20)27-23)16-6-8-19-21(11-16)26-15(3)24-19;1-12-8-17(11-23-13(12)2)22-26-19-7-5-16(10-21(19)27-22)15-4-6-18-20(9-15)25-14(3)24-18;1-12-3-4-14(11-22-12)21-24-18-10-16(6-8-20(18)28-21)29(25,26)15-5-7-19-17(9-15)23-13(2)27-19;1-12-3-4-16(11-22-12)21-24-18-10-15(6-8-20(18)26-21)14-5-7-19-17(9-14)23-13(2)25-19/h4-12H,1-3H3,(H,24,25)(H,26,27);2*4-12H,1-3H3;2*4-12H,1-3H3;4-11H,1-3H3,(H,24,25)(H,26,27);3-11H,1-2H3;3-11H,1-2H3
• InChIKey: KKQJULPVMHECCK-UHFFFAOYSA-N
• XLogP: 44.87
• TPSA: 549.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3126.78
LogP ≤ 5	44.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole?

The IUPAC name of 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole (CID 159162303) is 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole.

What is the SMILES notation for 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole?

The canonical SMILES for 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole is Cc1ccc(-c2nc3cc(-c4ccc5oc(C)nc5c4)ccc3o2)cn1.Cc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5sc(C)nc5c4)ccc3s2)cn1.Cc1nc2cc(S(=O)(=O)c3ccc4oc(-c5ccc(C)c(C)c5)nc4c3)ccc2o1.Cc1nc2ccc(-c3ccc4nc(-c5ccc(C)c(C)c5)oc4c3)cc2o1.Cc1nc2ccc(-c3ccc4nc(-c5ccc(C)c(C)c5)sc4c3)cc2s1.Cc1nc2ccc(-c3ccc4nc(-c5cnc(C)c(C)c5)[nH]c4c3)cc2[nH]1.Cc1nc2ccc(S(=O)(=O)c3ccc4nc(-c5ccc(C)c(C)c5)[nH]c4c3)cc2[nH]1.Cc1nc2ccc(S(=O)(=O)c3ccc4nc(-c5ccc(C)c(C)c5)oc4c3)cc2o1.

What is the InChIKey of 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole?

The InChIKey is KKQJULPVMHECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S.2C23H18N2O4S.C23H18N2O2.C23H18N2S2.C22H19N5.C21H15N3O2S3.C21H15N3O2/c1-13-4-5-16(10-14(13)2)23-26-20-9-7-18(12-22(20)27-23)30(28,29)17-6-8-19-21(11-17)25-15(3)24-19;1-13-4-5-16(10-14(13)2)23-25-20-12-18(7-9-22(20)29-23)30(26,27)17-6-8-21-19(11-17)24-15(3)28-21;1-13-4-5-16(10-14(13)2)23-25-20-9-7-18(12-22(20)29-23)30(26,27)17-6-8-19-21(11-17)28-15(3)24-19;2*1-13-4-5-18(10-14(13)2)23-25-20-9-7-17(12-22(20)27-23)16-6-8-19-21(11-16)26-15(3)24-19;1-12-8-17(11-23-13(12)2)22-26-19-7-5-16(10-21(19)27-22)15-4-6-18-20(9-15)25-14(3)24-18;1-12-3-4-14(11-22-12)21-24-18-10-16(6-8-20(18)28-21)29(25,26)15-5-7-19-17(9-15)23-13(2)27-19;1-12-3-4-16(11-22-12)21-24-18-10-15(6-8-20(18)26-21)14-5-7-19-17(9-14)23-13(2)25-19/h4-12H,1-3H3,(H,24,25)(H,26,27);2*4-12H,1-3H3;2*4-12H,1-3H3;4-11H,1-3H3,(H,24,25)(H,26,27);3-11H,1-2H3;3-11H,1-2H3.

What are the key properties of 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole?

6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole has a molecular weight of 3126.78 g/mol, XLogP of 44.87, 20 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-2-methyl-1H-benzimidazole;5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-methyl-1,3-benzoxazole;6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-6-yl]sulfonyl]-2-methyl-1,3-benzoxazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole;2-(3,4-dimethylphenyl)-6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazole;2-(5,6-dimethyl-3-pyridinyl)-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-5-[[2-(6-methyl-3-pyridinyl)-1,3-benzothiazol-5-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 159162303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).