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

C154H118N20O6S5 — CID 158093267

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

2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole (PubChem CID 158093267) has the molecular formula C154H118N20O6S5 and a molecular weight of 2505.11 g/mol. Its IUPAC name is 2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole
• PubChem CID: 158093267
• Molecular Formula: C154H118N20O6S5
• Molecular Weight: 2505.11 g/mol
• Exact Mass: 2502.81
• IUPAC Name: 2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole
• SMILES: Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)c1
• InChI: InChI=1S/C22H18N4O2S.2C22H18N4.2C22H16N2O2.2C22H16N2S2/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;1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(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;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(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/h3-12H,1-2H3,(H,23,24)(H,25,26);2*3-12H,1-2H3,(H,23,24)(H,25,26);4*3-12H,1-2H3
• InChIKey: FOJAPCWOMZHKLR-UHFFFAOYSA-N
• XLogP: 40.89
• TPSA: 361.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2505.11
LogP ≤ 5	40.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole (CID 158093267) is 2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole is Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)cc1.Cc1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)oc5c4)cc3o2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)sc5c4)cc3s2)c1.

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

The InChIKey is FOJAPCWOMZHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S.2C22H18N4.2C22H16N2O2.2C22H16N2S2/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;1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(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;1-13-3-5-15(6-4-13)22-24-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)25-14(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/h3-12H,1-2H3,(H,23,24)(H,25,26);2*3-12H,1-2H3,(H,23,24)(H,25,26);4*3-12H,1-2H3.

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

2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole has a molecular weight of 2505.11 g/mol, XLogP of 40.89, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-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]-1,3-benzothiazole;2-methyl-6-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole;2-methyl-6-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-1,3-benzoxazole is sourced from PubChem (CID 158093267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).