5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole

C92H65Cl6F2N15O11S6 — CID 158345843

IUPAC5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1F)c1ccc2c(c1)=NC(=C1C=CC=CN1O)N=2.O=S(=O)(Cc1cccc(Cl)c1F)c1ccc2c(c1)=NC(=C1C=CC=CN1O)N=2.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(C3=CCC=N3)[nH]c2c1.O=S(Cc1ccccc1Cl)c1cc2[nH]c(-c3ccccn3)nc2cc1Cl
InChIInChI=1S/C19H13Cl2N3OS.2C19H13ClFN3O3S.C18H14ClN3O2S.C17H12ClN3O2S2/c20-13-6-2-1-5-12(13)11-26(25)18-10-17-16(9-14(18)21)23-19(24-17)15-7-3-4-8-22-15;20-14-5-3-4-12(18(14)21)11-28(26,27)13-7-8-15-16(10-13)23-19(22-15)17-6-1-2-9-24(17)25;20-13-5-4-12(15(21)9-13)11-28(26,27)14-6-7-16-17(10-14)23-19(22-16)18-3-1-2-8-24(18)25;19-14-5-2-1-4-12(14)11-25(23,24)13-7-8-15-17(10-13)22-18(21-15)16-6-3-9-20-16;18-13-4-2-1-3-11(13)10-25(22,23)12-5-6-14-15(9-12)21-16(20-14)17-19-7-8-24-17/h1-10H,11H2,(H,23,24);2*1-10,25H,11H2;1-2,4-10H,3,11H2,(H,21,22);1-9H,10H2,(H,20,21)
InChIKeyYGGSBTUTPAYNKB-UHFFFAOYSA-N
MW1999.74 g/mol
LogP18.86
Rot. Bonds18

About 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole

5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole (PubChem CID 158345843) has the molecular formula C92H65Cl6F2N15O11S6 and a molecular weight of 1999.74 g/mol. Its IUPAC name is 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole
PubChem CID158345843
Molecular FormulaC92H65Cl6F2N15O11S6
Molecular Weight1999.74 g/mol
Exact Mass1995.14
IUPAC Name5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1F)c1ccc2c(c1)=NC(=C1C=CC=CN1O)N=2.O=S(=O)(Cc1cccc(Cl)c1F)c1ccc2c(c1)=NC(=C1C=CC=CN1O)N=2.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(C3=CCC=N3)[nH]c2c1.O=S(Cc1ccccc1Cl)c1cc2[nH]c(-c3ccccn3)nc2cc1Cl
InChIInChI=1S/C19H13Cl2N3OS.2C19H13ClFN3O3S.C18H14ClN3O2S.C17H12ClN3O2S2/c20-13-6-2-1-5-12(13)11-26(25)18-10-17-16(9-14(18)21)23-19(24-17)15-7-3-4-8-22-15;20-14-5-3-4-12(18(14)21)11-28(26,27)13-7-8-15-16(10-13)23-19(22-15)17-6-1-2-9-24(17)25;20-13-5-4-12(15(21)9-13)11-28(26,27)14-6-7-16-17(10-14)23-19(22-16)18-3-1-2-8-24(18)25;19-14-5-2-1-4-12(14)11-25(23,24)13-7-8-15-17(10-13)22-18(21-15)16-6-3-9-20-16;18-13-4-2-1-3-11(13)10-25(22,23)12-5-6-14-15(9-12)21-16(20-14)17-19-7-8-24-17/h1-10H,11H2,(H,23,24);2*1-10,25H,11H2;1-2,4-10H,3,11H2,(H,21,22);1-9H,10H2,(H,20,21)
InChIKeyYGGSBTUTPAYNKB-UHFFFAOYSA-N
XLogP18.86
TPSA374.19 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001999.74
LogP ≤ 518.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole with MolForge

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Related Compounds

5-chloro-6-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(2-chlorophenyl)methylsulfonyl]-6-fluoro-2-pyridin-2-yl-1H-benzimidazole
CID 157930365
N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide
CID 158166828
5-chloro-6-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;5-chloro-6-[(2-chlorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2,4-dichlorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole
CID 158760836
5-chloro-6-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;6-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2,4-dichlorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole
CID 159355068
6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole
CID 160144426
5-chloro-6-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2,4-dichlorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole
CID 160764123
2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole
CID 160767407
5-chloro-6-[(2-chlorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2,4-dichlorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2,4-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2,5-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2-fluorophenyl)methylsulfanyl]-2-pyridin-2-yl-1H-benzimidazole;6-[(2-fluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole
CID 161686876

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole?
The IUPAC name of 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole (CID 158345843) is 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole is O=S(=O)(Cc1ccc(Cl)cc1F)c1ccc2c(c1)=NC(=C1C=CC=CN1O)N=2.O=S(=O)(Cc1cccc(Cl)c1F)c1ccc2c(c1)=NC(=C1C=CC=CN1O)N=2.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(C3=CCC=N3)[nH]c2c1.O=S(Cc1ccccc1Cl)c1cc2[nH]c(-c3ccccn3)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole?
The InChIKey is YGGSBTUTPAYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS.2C19H13ClFN3O3S.C18H14ClN3O2S.C17H12ClN3O2S2/c20-13-6-2-1-5-12(13)11-26(25)18-10-17-16(9-14(18)21)23-19(24-17)15-7-3-4-8-22-15;20-14-5-3-4-12(18(14)21)11-28(26,27)13-7-8-15-16(10-13)23-19(22-15)17-6-1-2-9-24(17)25;20-13-5-4-12(15(21)9-13)11-28(26,27)14-6-7-16-17(10-14)23-19(22-16)18-3-1-2-8-24(18)25;19-14-5-2-1-4-12(14)11-25(23,24)13-7-8-15-17(10-13)22-18(21-15)16-6-3-9-20-16;18-13-4-2-1-3-11(13)10-25(22,23)12-5-6-14-15(9-12)21-16(20-14)17-19-7-8-24-17/h1-10H,11H2,(H,23,24);2*1-10,25H,11H2;1-2,4-10H,3,11H2,(H,21,22);1-9H,10H2,(H,20,21).
What are the key properties of 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole?
5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole has a molecular weight of 1999.74 g/mol, XLogP of 18.86, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 158345843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).