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

C106H70Cl4F4N22O2 — CID 158242440

IUPAC6-[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
SMILESCOc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Clc1ccc(-c2ncccc2-c2ccc3ncnn3c2)c(Cl)c1.Clc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3nc[nH]c3c2)cc1Cl.c1ccc(-c2ncccc2-c2ccc3ncnn3c2)cc1
InChIInChI=1S/C18H11ClFN3.C18H12ClN3.C18H11F3N4O.C18H14N4O.C17H10Cl2N4.C17H12N4/c19-14-8-12(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/h1-10H,(H,22,23);1-11H,(H,21,22);1-11H;2-12H,1H3;1-10H;1-12H
InChIKeyGFSAWLNOSKWOMU-UHFFFAOYSA-N
MW1901.68 g/mol
LogP26.08
Rot. Bonds14

About 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-(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 158242440) has the molecular formula C106H70Cl4F4N22O2 and a molecular weight of 1901.68 g/mol. Its IUPAC name is 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 Name6-[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 CID158242440
Molecular FormulaC106H70Cl4F4N22O2
Molecular Weight1901.68 g/mol
Exact Mass1898.47
IUPAC Name6-[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
SMILESCOc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Clc1ccc(-c2ncccc2-c2ccc3ncnn3c2)c(Cl)c1.Clc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3nc[nH]c3c2)cc1Cl.c1ccc(-c2ncccc2-c2ccc3ncnn3c2)cc1
InChIInChI=1S/C18H11ClFN3.C18H12ClN3.C18H11F3N4O.C18H14N4O.C17H10Cl2N4.C17H12N4/c19-14-8-12(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/h1-10H,(H,22,23);1-11H,(H,21,22);1-11H;2-12H,1H3;1-10H;1-12H
InChIKeyGFSAWLNOSKWOMU-UHFFFAOYSA-N
XLogP26.08
TPSA273.92 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001901.68
LogP ≤ 526.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(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 158242440) is 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-(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-(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.FC(F)(F)Oc1cccc(-c2ncccc2-c2ccc3ncnn3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3nc[nH]c3c2)cc1Cl.c1ccc(-c2ncccc2-c2ccc3ncnn3c2)cc1.
What is the InChIKey of 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 GFSAWLNOSKWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3.C18H12ClN3.C18H11F3N4O.C18H14N4O.C17H10Cl2N4.C17H12N4/c19-14-8-12(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/h1-10H,(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-(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-(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 1901.68 g/mol, XLogP of 26.08, 14 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158242440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).