5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol

C117H96F3N27O2S2 — CID 161431331

About 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol

5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol (PubChem CID 161431331) has the molecular formula C117H96F3N27O2S2 and a molecular weight of 2033.37 g/mol. Its IUPAC name is 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol.

Molecular Properties

• Compound Name: 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol
• PubChem CID: 161431331
• Molecular Formula: C117H96F3N27O2S2
• Molecular Weight: 2033.37 g/mol
• Exact Mass: 2031.76
• IUPAC Name: 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol
• SMILES: CS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cc2nc(-c3ccccn3)[nH]c2cc1C.Cc1ccc2[nH]c(-c3ccccn3)nc2c1C.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cccc2[nH]c(-c3ccccn3)nc12.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.Fc1ccc2nc(-c3ccccn3)[nH]c2c1.SCc1ccc2nc(-c3ccccn3)[nH]c2c1
• InChI: InChI=1S/2C14H13N3.C13H11N3O2S.C13H11N3S.3C13H11N3.C12H7F2N3.C12H8FN3/c1-9-6-7-11-13(10(9)2)17-14(16-11)12-5-3-4-8-15-12;1-9-7-12-13(8-10(9)2)17-14(16-12)11-5-3-4-6-15-11;1-19(17,18)9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;17-8-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11;1-9-5-4-7-10-12(9)16-13(15-10)11-6-2-3-8-14-11;2*1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;13-7-5-10-11(6-8(7)14)17-12(16-10)9-3-1-2-4-15-9;13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h2*3-8H,1-2H3,(H,16,17);2-8H,1H3,(H,15,16);1-7,17H,8H2,(H,15,16);3*2-8H,1H3,(H,15,16);1-6H,(H,16,17);1-7H,(H,15,16)
• InChIKey: VYAYDJOZZZNJMX-UHFFFAOYSA-N
• XLogP: 26.03
• TPSA: 408.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.37
LogP ≤ 5	26.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol?

The IUPAC name of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol (CID 161431331) is 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol.

What is the SMILES notation for 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol?

The canonical SMILES for 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol is CS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cc2nc(-c3ccccn3)[nH]c2cc1C.Cc1ccc2[nH]c(-c3ccccn3)nc2c1C.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cccc2[nH]c(-c3ccccn3)nc12.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.Fc1ccc2nc(-c3ccccn3)[nH]c2c1.SCc1ccc2nc(-c3ccccn3)[nH]c2c1.

What is the InChIKey of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol?

The InChIKey is VYAYDJOZZZNJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13N3.C13H11N3O2S.C13H11N3S.3C13H11N3.C12H7F2N3.C12H8FN3/c1-9-6-7-11-13(10(9)2)17-14(16-11)12-5-3-4-8-15-12;1-9-7-12-13(8-10(9)2)17-14(16-12)11-5-3-4-6-15-11;1-19(17,18)9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;17-8-9-4-5-10-12(7-9)16-13(15-10)11-3-1-2-6-14-11;1-9-5-4-7-10-12(9)16-13(15-10)11-6-2-3-8-14-11;2*1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;13-7-5-10-11(6-8(7)14)17-12(16-10)9-3-1-2-4-15-9;13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h2*3-8H,1-2H3,(H,16,17);2-8H,1H3,(H,15,16);1-7,17H,8H2,(H,15,16);3*2-8H,1H3,(H,15,16);1-6H,(H,16,17);1-7H,(H,15,16).

What are the key properties of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol?

5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol has a molecular weight of 2033.37 g/mol, XLogP of 26.03, 11 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4-methyl-2-pyridin-2-yl-1H-benzimidazole;bis(6-methyl-2-pyridin-2-yl-1H-benzimidazole);6-methylsulfonyl-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol is sourced from PubChem (CID 161431331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).