C129H146Cl2F6N20O4S — CID 158435338
5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole (PubChem CID 158435338) has the molecular formula C129H146Cl2F6N20O4S and a molecular weight of 2257.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole.
| Compound Name | 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole |
|---|---|
| PubChem CID | 158435338 |
| Molecular Formula | C129H146Cl2F6N20O4S |
| Molecular Weight | 2257.68 g/mol |
| Exact Mass | 2255.08 |
| IUPAC Name | 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;3-chloro-5-(2-propan-2-yl-3H-pyrrol-5-yl)pyridine;5-(3-methoxyphenyl)-2-propan-2-yl-3H-pyrrole;5-(3-methylphenyl)-2-propan-2-yl-3H-pyrrole;bis(3-methyl-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine);5-(4-methylsulfonylphenyl)-2-propan-2-yl-1H-imidazole;4-(2-propan-2-yl-1H-imidazol-5-yl)benzonitrile;5-(2-propan-2-yl-3H-pyrrol-5-yl)-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-3H-pyrrole |
| SMILES | CC(C)C1=NC(c2ccc(C(F)(F)F)nc2)=CC1.CC(C)C1=NC(c2ccc(OC(F)(F)F)cc2)=CC1.CC(C)C1=NC(c2cncc(Cl)c2)=CC1.CC(C)c1ncc(-c2ccc(C#N)cc2)[nH]1.CC(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.COc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cccc(C2=CCC(C(C)C)=N2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1.Cc1cncc(-c2cnc(C(C)C)[nH]2)c1 |
| InChI | InChI=1S/C14H14F3NO.C14H17NO.C14H17N.C13H13F3N2.C13H13N3.C13H16N2O2S.2C12H13ClN2.2C12H15N3/c1-9(2)12-7-8-13(18-12)10-3-5-11(6-4-10)19-14(15,16)17;1-10(2)13-7-8-14(15-13)11-5-4-6-12(9-11)16-3;1-10(2)13-7-8-14(15-13)12-6-4-5-11(3)9-12;1-8(2)10-4-5-11(18-10)9-3-6-12(17-7-9)13(14,15)16;1-9(2)13-15-8-12(16-13)11-5-3-10(7-14)4-6-11;1-9(2)13-14-8-12(15-13)10-4-6-11(7-5-10)18(3,16)17;1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9;1-8(2)11-3-4-12(15-11)9-5-10(13)7-14-6-9;2*1-8(2)12-14-7-11(15-12)10-4-9(3)5-13-6-10/h3-6,8-9H,7H2,1-2H3;4-6,8-10H,7H2,1-3H3;4-6,8-10H,7H2,1-3H3;3,5-8H,4H2,1-2H3;3-6,8-9H,1-2H3,(H,15,16);4-9H,1-3H3,(H,14,15);3-8H,1-2H3,(H,14,15);4-8H,3H2,1-2H3;2*4-8H,1-3H3,(H,14,15) |
| InChIKey | HCDRGGRBEKEKPY-UHFFFAOYSA-N |
| XLogP | 34.65 |
| TPSA | 333.15 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2257.68 |
| LogP ≤ 5 | 34.65 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 19 |