6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

C87H58Cl4F7N21O2 — CID 159185269

About 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 159185269) has the molecular formula C87H58Cl4F7N21O2 and a molecular weight of 1704.36 g/mol. Its IUPAC name is 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

• Compound Name: 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
• PubChem CID: 159185269
• Molecular Formula: C87H58Cl4F7N21O2
• Molecular Weight: 1704.36 g/mol
• Exact Mass: 1701.37
• IUPAC Name: 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
• SMILES: Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Clc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Clc1ccc2nc(-c3ccccn3)[nH]c2c1.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2[nH]c(-c3ccccn3)nc2cc1Cl
• InChI: InChI=1S/C13H10ClN3O.C13H9F2N3O.C13H11N3.C12H7Cl2N3.C12H8ClN3.C12H6F3N3.C12H7F2N3/c14-9-6-12-11(5-8(9)7-18)16-13(17-12)10-3-1-2-4-15-10;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;13-7-5-8(14)11-10(6-7)16-12(17-11)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;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/h1-6,18H,7H2,(H,16,17);1-5,19H,6H2,(H,17,18);2-8H,1H3,(H,15,16);1-6H,(H,16,17);1-7H,(H,15,16);1-5H,(H,17,18);1-6H,(H,16,17)
• InChIKey: KNKHPUVORXEYOU-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 331.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1704.36
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The IUPAC name of 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (CID 159185269) is 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.

What is the SMILES notation for 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The canonical SMILES for 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is Cc1ccc2nc(-c3ccccn3)[nH]c2c1.Clc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Clc1ccc2nc(-c3ccccn3)[nH]c2c1.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.Fc1cc2nc(-c3ccccn3)[nH]c2cc1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2[nH]c(-c3ccccn3)nc2cc1Cl.

What is the InChIKey of 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

The InChIKey is KNKHPUVORXEYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O.C13H9F2N3O.C13H11N3.C12H7Cl2N3.C12H8ClN3.C12H6F3N3.C12H7F2N3/c14-9-6-12-11(5-8(9)7-18)16-13(17-12)10-3-1-2-4-15-10;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11;13-7-5-8(14)11-10(6-7)16-12(17-11)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;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/h1-6,18H,7H2,(H,16,17);1-5,19H,6H2,(H,17,18);2-8H,1H3,(H,15,16);1-6H,(H,16,17);1-7H,(H,15,16);1-5H,(H,17,18);1-6H,(H,16,17).

What are the key properties of 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?

6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 1704.36 g/mol, XLogP of 21.25, 9 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-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-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 159185269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).