5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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

C65H53F2N15O4S2 — CID 161373885

About 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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 161373885) has the molecular formula C65H53F2N15O4S2 and a molecular weight of 1210.37 g/mol. Its IUPAC name is 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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: 161373885
• Molecular Formula: C65H53F2N15O4S2
• Molecular Weight: 1210.37 g/mol
• Exact Mass: 1209.38
• IUPAC Name: 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO.SCc1ccc2nc(-c3ccccn3)[nH]c2c1
• InChI: InChI=1S/C14H13N3O2.C13H11N3O2S.C13H11N3S.C13H11N3.C12H7F2N3/c18-7-9-5-12-13(6-10(9)8-19)17-14(16-12)11-3-1-2-4-15-11;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;1-9-5-6-10-12(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/h1-6,18-19H,7-8H2,(H,16,17);2-8H,1H3,(H,15,16);1-7,17H,8H2,(H,15,16);2-8H,1H3,(H,15,16);1-6H,(H,16,17)
• InChIKey: VQVCDGHNIHDCJE-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 282.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1210.37
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

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;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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 161373885) is 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO.SCc1ccc2nc(-c3ccccn3)[nH]c2c1.

What is the InChIKey of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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 VQVCDGHNIHDCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.C13H11N3O2S.C13H11N3S.C13H11N3.C12H7F2N3/c18-7-9-5-12-13(6-10(9)8-19)17-14(16-12)11-3-1-2-4-15-11;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;1-9-5-6-10-12(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/h1-6,18-19H,7-8H2,(H,16,17);2-8H,1H3,(H,15,16);1-7,17H,8H2,(H,15,16);2-8H,1H3,(H,15,16);1-6H,(H,16,17).

What are the key properties of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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 1210.37 g/mol, XLogP of 12.53, 9 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;[6-(hydroxymethyl)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methanol;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 161373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).