7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one

C121H107Cl4F12N11O3S4 — CID 160718957

About 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one

7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one (PubChem CID 160718957) has the molecular formula C121H107Cl4F12N11O3S4 and a molecular weight of 2261.32 g/mol. Its IUPAC name is 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one.

Molecular Properties

• Compound Name: 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one
• PubChem CID: 160718957
• Molecular Formula: C121H107Cl4F12N11O3S4
• Molecular Weight: 2261.32 g/mol
• Exact Mass: 2257.60
• IUPAC Name: 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one
• SMILES: CC(=O)c1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(C)(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C(=O)CCCO)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C5=NCN=N5)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(C)(c2ccc(Cl)c(C)c2)CCC3)c(F)c1
• InChI: InChI=1S/C32H30ClF3N2O2S.C30H25ClF3N5S.C30H26ClF3N2OS.C29H26ClF3N2S/c1-19-15-21(7-12-25(19)33)32(2)13-3-5-28-30(32)38(23-10-8-22(34)9-11-23)31(37-28)41-18-24-26(35)16-20(17-27(24)36)29(40)6-4-14-39;1-17-12-19(5-10-23(17)31)30(2)11-3-4-26-27(30)39(21-8-6-20(32)7-9-21)29(37-26)40-15-22-24(33)13-18(14-25(22)34)28-35-16-36-38-28;1-17-13-20(6-11-24(17)31)30(3)12-4-5-27-28(30)36(22-9-7-21(32)8-10-22)29(35-27)38-16-23-25(33)14-19(18(2)37)15-26(23)34;1-17-13-24(32)22(25(33)14-17)16-36-28-34-26-5-4-12-29(3,19-6-11-23(30)18(2)15-19)27(26)35(28)21-9-7-20(31)8-10-21/h7-12,15-17,39H,3-6,13-14,18H2,1-2H3;5-10,12-14H,3-4,11,15-16H2,1-2H3;6-11,13-15H,4-5,12,16H2,1-3H3;6-11,13-15H,4-5,12,16H2,1-3H3
• InChIKey: RSVQHIIMVPQVEC-UHFFFAOYSA-N
• XLogP: 33.38
• TPSA: 162.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.32
LogP ≤ 5	33.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one?

The IUPAC name of 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one (CID 160718957) is 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one.

What is the SMILES notation for 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one?

The canonical SMILES for 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one is CC(=O)c1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(C)(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C(=O)CCCO)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(C2(C)CCCc3nc(SCc4c(F)cc(C5=NCN=N5)cc4F)n(-c4ccc(F)cc4)c32)ccc1Cl.Cc1cc(F)c(CSc2nc3c(n2-c2ccc(F)cc2)C(C)(c2ccc(Cl)c(C)c2)CCC3)c(F)c1.

What is the InChIKey of 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one?

The InChIKey is RSVQHIIMVPQVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClF3N2O2S.C30H25ClF3N5S.C30H26ClF3N2OS.C29H26ClF3N2S/c1-19-15-21(7-12-25(19)33)32(2)13-3-5-28-30(32)38(23-10-8-22(34)9-11-23)31(37-28)41-18-24-26(35)16-20(17-27(24)36)29(40)6-4-14-39;1-17-12-19(5-10-23(17)31)30(2)11-3-4-26-27(30)39(21-8-6-20(32)7-9-21)29(37-26)40-15-22-24(33)13-18(14-25(22)34)28-35-16-36-38-28;1-17-13-20(6-11-24(17)31)30(3)12-4-5-27-28(30)36(22-9-7-21(32)8-10-22)29(35-27)38-16-23-25(33)14-19(18(2)37)15-26(23)34;1-17-13-24(32)22(25(33)14-17)16-36-28-34-26-5-4-12-29(3,19-6-11-23(30)18(2)15-19)27(26)35(28)21-9-7-20(31)8-10-21/h7-12,15-17,39H,3-6,13-14,18H2,1-2H3;5-10,12-14H,3-4,11,15-16H2,1-2H3;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 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one?

7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one has a molecular weight of 2261.32 g/mol, XLogP of 33.38, 26 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chloro-3-methylphenyl)-2-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;7-(4-chloro-3-methylphenyl)-2-[[2,6-difluoro-4-(3H-1,2,4-triazol-5-yl)phenyl]methylsulfanyl]-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazole;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]ethanone;1-[4-[[7-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)-7-methyl-5,6-dihydro-4H-benzimidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-4-hydroxybutan-1-one is sourced from PubChem (CID 160718957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).