5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

C105H83F7N24O6S2 — CID 159390823

About 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 159390823) has the molecular formula C105H83F7N24O6S2 and a molecular weight of 1974.10 g/mol. Its IUPAC name is 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

• Compound Name: 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
• PubChem CID: 159390823
• Molecular Formula: C105H83F7N24O6S2
• Molecular Weight: 1974.10 g/mol
• Exact Mass: 1972.63
• IUPAC Name: 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
• SMILES: CC(C)Oc1ccc2nc(-c3ccccn3)[nH]c2c1.CS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO.SCc1ccc2nc(-c3ccccn3)[nH]c2c1
• InChI: InChI=1S/C15H15N3O.C14H13N3O2.C13H9F2N3O.C13H11N3O2S.C13H11N3S.C13H11N3.C12H6F3N3.C12H7F2N3/c1-10(2)19-11-6-7-12-14(9-11)18-15(17-12)13-5-3-4-8-16-13;18-7-9-5-12-13(6-10(9)8-19)17-14(16-12)11-3-1-2-4-15-11;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;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;13-6-5-8-11(10(15)9(6)14)18-12(17-8)7-3-1-2-4-16-7;13-7-5-10-11(6-8(7)14)17-12(16-10)9-3-1-2-4-15-9/h3-10H,1-2H3,(H,17,18);1-6,18-19H,7-8H2,(H,16,17);1-5,19H,6H2,(H,17,18);2-8H,1H3,(H,15,16);1-7,17H,8H2,(H,15,16);2-8H,1H3,(H,15,16);1-5H,(H,17,18);1-6H,(H,16,17)
• InChIKey: LMBXNPHPVVWIAH-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 436.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1974.10
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The IUPAC name of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (CID 159390823) is 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.

What is the SMILES notation for 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The canonical SMILES for 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is CC(C)Oc1ccc2nc(-c3ccccn3)[nH]c2c1.CS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO.SCc1ccc2nc(-c3ccccn3)[nH]c2c1.

What is the InChIKey of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The InChIKey is LMBXNPHPVVWIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.C14H13N3O2.C13H9F2N3O.C13H11N3O2S.C13H11N3S.C13H11N3.C12H6F3N3.C12H7F2N3/c1-10(2)19-11-6-7-12-14(9-11)18-15(17-12)13-5-3-4-8-16-13;18-7-9-5-12-13(6-10(9)8-19)17-14(16-12)11-3-1-2-4-15-11;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;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;13-6-5-8-11(10(15)9(6)14)18-12(17-8)7-3-1-2-4-16-7;13-7-5-10-11(6-8(7)14)17-12(16-10)9-3-1-2-4-15-9/h3-10H,1-2H3,(H,17,18);1-6,18-19H,7-8H2,(H,16,17);1-5,19H,6H2,(H,17,18);2-8H,1H3,(H,15,16);1-7,17H,8H2,(H,15,16);2-8H,1H3,(H,15,16);1-5H,(H,17,18);1-6H,(H,16,17).

What are the key properties of 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 1974.10 g/mol, XLogP of 21.38, 15 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;[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;6-propan-2-yloxy-2-pyridin-2-yl-1H-benzimidazole;(2-pyridin-2-yl-3H-benzimidazol-5-yl)methanethiol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 159390823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).