6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C125H82Cl5F6N25O2 — CID 158235795

About 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158235795) has the molecular formula C125H82Cl5F6N25O2 and a molecular weight of 2257.46 g/mol. Its IUPAC name is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158235795
• Molecular Formula: C125H82Cl5F6N25O2
• Molecular Weight: 2257.46 g/mol
• Exact Mass: 2253.54
• IUPAC Name: 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Clc1ccc(-c2ncccc2-c2ccc3ncnn3c2)c(Cl)c1.Clc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1.Cn1cnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cc21.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3nc[nH]c3c2)cc1Cl.c1ccc(-c2ncccc2-c2ccc3ncnn3c2)cc1
• InChI: InChI=1S/C19H12ClF2N3.C18H11ClFN3.C18H12ClN3.C18H11F3N4O.C18H14N4O.C17H10Cl2N4.C17H12N4/c1-25-10-24-17-5-4-11(7-18(17)25)12-3-2-6-23-19(12)13-8-14(20)16(22)9-15(13)21;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16;19-14-4-1-3-13(9-14)18-15(5-2-8-20-18)12-6-7-16-17(10-12)22-11-21-16;19-18(20,21)26-14-4-1-3-12(9-14)17-15(5-2-8-22-17)13-6-7-16-23-11-24-25(16)10-13;1-23-15-5-2-4-13(10-15)18-16(6-3-9-19-18)14-7-8-17-20-12-21-22(17)11-14;18-12-4-5-14(15(19)8-12)17-13(2-1-7-20-17)11-3-6-16-21-10-22-23(16)9-11;1-2-5-13(6-3-1)17-15(7-4-10-18-17)14-8-9-16-19-12-20-21(16)11-14/h2-10H,1H3;1-10H,(H,22,23);1-11H,(H,21,22);1-11H;2-12H,1H3;1-10H;1-12H
• InChIKey: GEYFVRHLSPGXRB-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 304.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.46
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158235795) is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Clc1ccc(-c2ncccc2-c2ccc3ncnn3c2)c(Cl)c1.Clc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1.Cn1cnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cc21.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3nc[nH]c3c2)cc1Cl.c1ccc(-c2ncccc2-c2ccc3ncnn3c2)cc1.

What is the InChIKey of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is GEYFVRHLSPGXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3.C18H11ClFN3.C18H12ClN3.C18H11F3N4O.C18H14N4O.C17H10Cl2N4.C17H12N4/c1-25-10-24-17-5-4-11(7-18(17)25)12-3-2-6-23-19(12)13-8-14(20)16(22)9-15(13)21;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16;19-14-4-1-3-13(9-14)18-15(5-2-8-20-18)12-6-7-16-17(10-12)22-11-21-16;19-18(20,21)26-14-4-1-3-12(9-14)17-15(5-2-8-22-17)13-6-7-16-23-11-24-25(16)10-13;1-23-15-5-2-4-13(10-15)18-16(6-3-9-19-18)14-7-8-17-20-12-21-22(17)11-14;18-12-4-5-14(15(19)8-12)17-13(2-1-7-20-17)11-3-6-16-21-10-22-23(16)9-11;1-2-5-13(6-3-1)17-15(7-4-10-18-17)14-8-9-16-19-12-20-21(16)11-14/h2-10H,1H3;1-10H,(H,22,23);1-11H,(H,21,22);1-11H;2-12H,1H3;1-10H;1-12H.

What are the key properties of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2257.46 g/mol, XLogP of 31.31, 16 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(3-chlorophenyl)-3-pyridinyl]-1H-benzimidazole;6-[2-(2,4-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-(2-phenyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158235795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).