2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole

C142H134Cl3F11N12O5S6 — CID 157260021

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 157260021) has the molecular formula C142H134Cl3F11N12O5S6 and a molecular weight of 2596.45 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole
• PubChem CID: 157260021
• Molecular Formula: C142H134Cl3F11N12O5S6
• Molecular Weight: 2596.45 g/mol
• Exact Mass: 2592.78
• IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole
• SMILES: COc1ccc(C2(C)CCCc3nc(SCc4c(Cl)cccc4Cl)n(-c4ccc(F)cc4)c32)cc1C.COc1ccc(C2(C)CCCc3nc(SCc4c(F)cc(CCO)cc4F)n(-c4ccc(F)cc4)c32)cc1C.COc1ccc(C2(C)CCCc3nc(SCc4c(F)cncc4F)n(-c4ccc(F)cc4)c32)cc1C.COc1ccc(C2(C)CCCc3nc(SCc4nccs4)n(-c4ccc(F)cc4)c32)cc1C.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cccc4Cl)n(-c4ccc(F)cc4)c32)ccc1F
• InChI: InChI=1S/C31H31F3N2O2S.C29H27Cl2FN2OS.C28H24ClF3N2S.C28H26F3N3OS.C26H26FN3OS2/c1-19-15-21(6-11-28(19)38-3)31(2)13-4-5-27-29(31)36(23-9-7-22(32)8-10-23)30(35-27)39-18-24-25(33)16-20(12-14-37)17-26(24)34;1-18-16-19(9-14-26(18)35-3)29(2)15-5-8-25-27(29)34(21-12-10-20(32)11-13-21)28(33-25)36-17-22-23(30)6-4-7-24(22)31;1-17-15-18(8-13-23(17)31)28(2)14-4-7-25-26(28)34(20-11-9-19(30)10-12-20)27(33-25)35-16-21-22(29)5-3-6-24(21)32;1-17-13-18(6-11-25(17)35-3)28(2)12-4-5-24-26(28)34(20-9-7-19(29)8-10-20)27(33-24)36-16-21-22(30)14-32-15-23(21)31;1-17-15-18(6-11-22(17)31-3)26(2)12-4-5-21-24(26)30(20-9-7-19(27)8-10-20)25(29-21)33-16-23-28-13-14-32-23/h6-11,15-17,37H,4-5,12-14,18H2,1-3H3;4,6-7,9-14,16H,5,8,15,17H2,1-3H3;3,5-6,8-13,15H,4,7,14,16H2,1-2H3;6-11,13-15H,4-5,12,16H2,1-3H3;6-11,13-15H,4-5,12,16H2,1-3H3
• InChIKey: AXIPQIJXBAUJEU-UHFFFAOYSA-N
• XLogP: 37.49
• TPSA: 172.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2596.45
LogP ≤ 5	37.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole?

The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole (CID 157260021) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole.

What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole?

The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole is COc1ccc(C2(C)CCCc3nc(SCc4c(Cl)cccc4Cl)n(-c4ccc(F)cc4)c32)cc1C.COc1ccc(C2(C)CCCc3nc(SCc4c(F)cc(CCO)cc4F)n(-c4ccc(F)cc4)c32)cc1C.COc1ccc(C2(C)CCCc3nc(SCc4c(F)cncc4F)n(-c4ccc(F)cc4)c32)cc1C.COc1ccc(C2(C)CCCc3nc(SCc4nccs4)n(-c4ccc(F)cc4)c32)cc1C.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cccc4Cl)n(-c4ccc(F)cc4)c32)ccc1F.

What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole?

The InChIKey is AXIPQIJXBAUJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F3N2O2S.C29H27Cl2FN2OS.C28H24ClF3N2S.C28H26F3N3OS.C26H26FN3OS2/c1-19-15-21(6-11-28(19)38-3)31(2)13-4-5-27-29(31)36(23-9-7-22(32)8-10-23)30(35-27)39-18-24-25(33)16-20(12-14-37)17-26(24)34;1-18-16-19(9-14-26(18)35-3)29(2)15-5-8-25-27(29)34(21-12-10-20(32)11-13-21)28(33-25)36-17-22-23(30)6-4-7-24(22)31;1-17-15-18(8-13-23(17)31)28(2)14-4-7-25-26(28)34(20-11-9-19(30)10-12-20)27(33-25)35-16-21-22(29)5-3-6-24(21)32;1-17-13-18(6-11-25(17)35-3)28(2)12-4-5-24-26(28)34(20-9-7-19(29)8-10-20)27(33-24)36-16-21-22(30)14-32-15-23(21)31;1-17-15-18(6-11-22(17)31-3)26(2)12-4-5-21-24(26)30(20-9-7-19(27)8-10-20)25(29-21)33-16-23-28-13-14-32-23/h6-11,15-17,37H,4-5,12-14,18H2,1-3H3;4,6-7,9-14,16H,5,8,15,17H2,1-3H3;3,5-6,8-13,15H,4,7,14,16H2,1-2H3;6-11,13-15H,4-5,12,16H2,1-3H3;6-11,13-15H,4-5,12,16H2,1-3H3.

What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole?

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 2596.45 g/mol, XLogP of 37.49, 31 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[3,5-difluoro-4-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]phenyl]ethanol;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;2-[[1-(4-fluorophenyl)-7-(4-methoxy-3-methylphenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 157260021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).