C132H132F15N25 — CID 158771515
4-[2-(1-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(2-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(aminomethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(azetidin-3-ylmethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[(dimethylamino)methyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 158771515) has the molecular formula C132H132F15N25 and a molecular weight of 2353.65 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(2-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(aminomethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(azetidin-3-ylmethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[(dimethylamino)methyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine.
| Compound Name | 4-[2-(1-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(2-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(aminomethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(azetidin-3-ylmethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[(dimethylamino)methyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine |
|---|---|
| PubChem CID | 158771515 |
| Molecular Formula | C132H132F15N25 |
| Molecular Weight | 2353.65 g/mol |
| Exact Mass | 2352.09 |
| IUPAC Name | 4-[2-(1-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(2-aminoethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(aminomethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-(azetidin-3-ylmethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;4-[2-[(dimethylamino)methyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine |
| SMILES | CC(N)c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(C)c3ccccc3)c2)n1C.CC(Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(CC3CNC3)n2C)ccn1)c1ccccc1.CC(Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(CCN)n2C)ccn1)c1ccccc1.CC(Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(CN(C)C)n2C)ccn1)c1ccccc1.CC(Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(CN)n2C)ccn1)c1ccccc1 |
| InChI | InChI=1S/C28H28F3N5.C27H28F3N5.2C26H26F3N5.C25H24F3N5/c1-18(20-7-4-3-5-8-20)34-24-15-22(11-12-33-24)27-26(21-9-6-10-23(14-21)28(29,30)31)35-25(36(27)2)13-19-16-32-17-19;1-18(19-9-6-5-7-10-19)32-23-16-21(13-14-31-23)26-25(33-24(35(26)4)17-34(2)3)20-11-8-12-22(15-20)27(28,29)30;1-16(30)25-33-23(19-10-7-11-21(14-19)26(27,28)29)24(34(25)3)20-12-13-31-22(15-20)32-17(2)18-8-5-4-6-9-18;1-17(18-7-4-3-5-8-18)32-22-16-20(12-14-31-22)25-24(33-23(11-13-30)34(25)2)19-9-6-10-21(15-19)26(27,28)29;1-16(17-7-4-3-5-8-17)31-21-14-19(11-12-30-21)24-23(32-22(15-29)33(24)2)18-9-6-10-20(13-18)25(26,27)28/h3-12,14-15,18-19,32H,13,16-17H2,1-2H3,(H,33,34);5-16,18H,17H2,1-4H3,(H,31,32);4-17H,30H2,1-3H3,(H,31,32);3-10,12,14-17H,11,13,30H2,1-2H3,(H,31,32);3-14,16H,15,29H2,1-2H3,(H,30,31) |
| InChIKey | IPXSICUNUKDSGY-UHFFFAOYSA-N |
| XLogP | 30.51 |
| TPSA | 307.03 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2353.65 |
| LogP ≤ 5 | 30.51 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |