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

C132H100N16O14S9 — CID 158813799

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

2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (PubChem CID 158813799) has the molecular formula C132H100N16O14S9 and a molecular weight of 2422.95 g/mol. Its IUPAC name is 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
• PubChem CID: 158813799
• Molecular Formula: C132H100N16O14S9
• Molecular Weight: 2422.95 g/mol
• Exact Mass: 2420.51
• IUPAC Name: 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
• SMILES: Cc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)sc5c4)cc3s2)cc1.Cc1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)c1.Cc1cccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1
• InChI: InChI=1S/2C22H18N4O2S.2C22H16N2O4S.C22H16N2O2S3.C22H16N2S2/c1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)29(27,28)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-15(10-13)22-25-19-9-7-17(12-21(19)26-22)29(27,28)16-6-8-18-20(11-16)24-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-12-17(8-10-21(19)28-22)29(25,26)16-7-9-20-18(11-16)23-14(2)27-20;1-13-4-3-5-15(10-13)22-24-19-12-17(7-9-21(19)28-22)29(25,26)16-6-8-20-18(11-16)23-14(2)27-20;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)28-22)29(25,26)16-7-9-18-20(11-16)27-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18/h2*3-12H,1-2H3,(H,23,24)(H,25,26);3*3-12H,1-2H3;3-12H,1-2H3
• InChIKey: IUZZMMMPLMTVAZ-UHFFFAOYSA-N
• XLogP: 32.16
• TPSA: 441.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.95
LogP ≤ 5	32.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (CID 158813799) is 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.

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

The canonical SMILES for 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is Cc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)sc5c4)cc3s2)cc1.Cc1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(C)nc5c4)ccc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)c1.Cc1cccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.

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

The InChIKey is IUZZMMMPLMTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18N4O2S.2C22H16N2O4S.C22H16N2O2S3.C22H16N2S2/c1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)29(27,28)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-15(10-13)22-25-19-9-7-17(12-21(19)26-22)29(27,28)16-6-8-18-20(11-16)24-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-12-17(8-10-21(19)28-22)29(25,26)16-7-9-20-18(11-16)23-14(2)27-20;1-13-4-3-5-15(10-13)22-24-19-12-17(7-9-21(19)28-22)29(25,26)16-6-8-20-18(11-16)23-14(2)27-20;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)28-22)29(25,26)16-7-9-18-20(11-16)27-14(2)23-18;1-13-4-3-5-17(10-13)22-24-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)25-14(2)23-18/h2*3-12H,1-2H3,(H,23,24)(H,25,26);3*3-12H,1-2H3;3-12H,1-2H3.

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

2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole has a molecular weight of 2422.95 g/mol, XLogP of 32.16, 17 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[[2-(3-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazole;2-methyl-6-[[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazole;2-methyl-5-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole;2-methyl-5-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is sourced from PubChem (CID 158813799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).