2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole

C152H111Cl6F7N24O16S9 — CID 160767407

About 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole

2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole (PubChem CID 160767407) has the molecular formula C152H111Cl6F7N24O16S9 and a molecular weight of 3164.02 g/mol. Its IUPAC name is 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole
• PubChem CID: 160767407
• Molecular Formula: C152H111Cl6F7N24O16S9
• Molecular Weight: 3164.02 g/mol
• Exact Mass: 3158.41
• IUPAC Name: 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole
• SMILES: Cc1cccc(-c2nc3ccc(S(=O)(=O)Cc4ccccc4Cl)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(S(=O)(=O)Cc4ccccc4Cl)cc3[nH]2)n1.Cc1cnc(-c2nc3ccc(S(=O)(=O)Cc4ccccc4Cl)cc3[nH]2)c(F)c1.O=S(=O)(Cc1c(F)cccc1F)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Cc1cc(F)c(F)cc1F)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3ncccc3F)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(C3=CCC=N3)[nH]c2c1
• InChI: InChI=1S/C20H15ClFN3O2S.2C20H16ClN3O2S.C19H13ClFN3O2S.C19H12F3N3O2S.C19H13F2N3O2S.C18H14ClN3O2S.C17H12ClN3O2S2/c1-12-8-16(22)19(23-10-12)20-24-17-7-6-14(9-18(17)25-20)28(26,27)11-13-4-2-3-5-15(13)21;2*1-13-5-4-8-18(22-13)20-23-17-10-9-15(11-19(17)24-20)27(25,26)12-14-6-2-3-7-16(14)21;20-14-5-2-1-4-12(14)11-27(25,26)13-7-8-16-17(10-13)24-19(23-16)18-15(21)6-3-9-22-18;20-13-9-15(22)14(21)7-11(13)10-28(26,27)12-4-5-16-18(8-12)25-19(24-16)17-3-1-2-6-23-17;20-14-4-3-5-15(21)13(14)11-27(25,26)12-7-8-16-18(10-12)24-19(23-16)17-6-1-2-9-22-17;19-14-5-2-1-4-12(14)11-25(23,24)13-7-8-15-17(10-13)22-18(21-15)16-6-3-9-20-16;18-13-4-2-1-3-11(13)10-25(22,23)12-5-6-14-15(9-12)21-16(20-14)17-19-7-8-24-17/h2-10H,11H2,1H3,(H,24,25);2*2-11H,12H2,1H3,(H,23,24);1-10H,11H2,(H,23,24);1-9H,10H2,(H,24,25);1-10H,11H2,(H,23,24);1-2,4-10H,3,11H2,(H,21,22);1-9H,10H2,(H,20,21)
• InChIKey: RYVYBKOOHYNSSB-UHFFFAOYSA-N
• XLogP: 34.42
• TPSA: 605.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3164.02
LogP ≤ 5	34.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole?

The IUPAC name of 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole (CID 160767407) is 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole.

What is the SMILES notation for 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole?

The canonical SMILES for 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole is Cc1cccc(-c2nc3ccc(S(=O)(=O)Cc4ccccc4Cl)cc3[nH]2)n1.Cc1cccc(-c2nc3ccc(S(=O)(=O)Cc4ccccc4Cl)cc3[nH]2)n1.Cc1cnc(-c2nc3ccc(S(=O)(=O)Cc4ccccc4Cl)cc3[nH]2)c(F)c1.O=S(=O)(Cc1c(F)cccc1F)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Cc1cc(F)c(F)cc1F)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3ncccc3F)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(C3=CCC=N3)[nH]c2c1.

What is the InChIKey of 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole?

The InChIKey is RYVYBKOOHYNSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S.2C20H16ClN3O2S.C19H13ClFN3O2S.C19H12F3N3O2S.C19H13F2N3O2S.C18H14ClN3O2S.C17H12ClN3O2S2/c1-12-8-16(22)19(23-10-12)20-24-17-7-6-14(9-18(17)25-20)28(26,27)11-13-4-2-3-5-15(13)21;2*1-13-5-4-8-18(22-13)20-23-17-10-9-15(11-19(17)24-20)27(25,26)12-14-6-2-3-7-16(14)21;20-14-5-2-1-4-12(14)11-27(25,26)13-7-8-16-17(10-13)24-19(23-16)18-15(21)6-3-9-22-18;20-13-9-15(22)14(21)7-11(13)10-28(26,27)12-4-5-16-18(8-12)25-19(24-16)17-3-1-2-6-23-17;20-14-4-3-5-15(21)13(14)11-27(25,26)12-7-8-16-18(10-12)24-19(23-16)17-6-1-2-9-22-17;19-14-5-2-1-4-12(14)11-25(23,24)13-7-8-15-17(10-13)22-18(21-15)16-6-3-9-20-16;18-13-4-2-1-3-11(13)10-25(22,23)12-5-6-14-15(9-12)21-16(20-14)17-19-7-8-24-17/h2-10H,11H2,1H3,(H,24,25);2*2-11H,12H2,1H3,(H,23,24);1-10H,11H2,(H,23,24);1-9H,10H2,(H,24,25);1-10H,11H2,(H,23,24);1-2,4-10H,3,11H2,(H,21,22);1-9H,10H2,(H,20,21).

What are the key properties of 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole?

2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole has a molecular weight of 3164.02 g/mol, XLogP of 34.42, 32 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole is sourced from PubChem (CID 160767407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).