C140H102Cl5F23N20 — CID 158583131
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-(1,1-difluoroethyl)-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-4-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine) (PubChem CID 158583131) has the molecular formula C140H102Cl5F23N20 and a molecular weight of 2678.71 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-(1,1-difluoroethyl)-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-4-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine).
| Compound Name | N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-(1,1-difluoroethyl)-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-4-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine) |
|---|---|
| PubChem CID | 158583131 |
| Molecular Formula | C140H102Cl5F23N20 |
| Molecular Weight | 2678.71 g/mol |
| Exact Mass | 2674.67 |
| IUPAC Name | N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-(1,1-difluoroethyl)-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-fluoro-4-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine) |
| SMILES | CC(F)(F)c1ccc2nc(NC(Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1.Cc1c(F)ccc2[nH]c(NC(Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)nc12.Cc1ccc2nc(NC(Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1.Cc1ccc2nc(NC(Cc3ccccc3)(c3cc(F)cc(C(F)(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1.Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3ccccc3[nH]2)c2ccc(Cl)cn2)c1 |
| InChI | InChI=1S/C29H21ClF6N4.C28H20ClF5N4.2C28H21ClF4N4.C27H19ClF4N4/c1-27(32,33)18-7-9-23-24(14-18)39-26(38-23)40-28(15-17-5-3-2-4-6-17,25-10-8-21(30)16-37-25)19-11-20(29(34,35)36)13-22(31)12-19;1-16-22(31)8-9-23-25(16)37-26(36-23)38-27(14-17-5-3-2-4-6-17,24-10-7-20(29)15-35-24)18-11-19(28(32,33)34)13-21(30)12-18;2*1-17-7-9-23-24(11-17)36-26(35-23)37-27(15-18-5-3-2-4-6-18,25-10-8-21(29)16-34-25)19-12-20(28(31,32)33)14-22(30)13-19;28-20-10-11-24(33-16-20)26(15-17-6-2-1-3-7-17,18-12-19(27(30,31)32)14-21(29)13-18)36-25-34-22-8-4-5-9-23(22)35-25/h2-14,16H,15H2,1H3,(H2,38,39,40);2-13,15H,14H2,1H3,(H2,36,37,38);2*2-14,16H,15H2,1H3,(H2,35,36,37);1-14,16H,15H2,(H2,34,35,36)/t;;;;26-/m....0/s1 |
| InChIKey | HTMMVPFABDLEOO-IVTXJESPSA-N |
| XLogP | 39.01 |
| TPSA | 268.00 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2678.71 |
| LogP ≤ 5 | 39.01 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 15 |