N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide
C120H128ClF18N17O9 — CID 167600279
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide
SMILESCC(C)(COc1cnc(C(F)(F)F)nc1)CN(Cc1cccnc1)Cc1ccccc1C(F)(F)F.Cc1ccccc1CN(CC(C)(C)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cc1ccccc1CN(CC(C)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O2.C24H25ClF3N3O2.C24H24F6N4O.C24H26F3N3O2.C23H25F3N4O2/c1-18-7-5-6-8-19(18)14-31(23(32)22-13-29-17-30(22)4)15-24(2,3)16-33-21-11-9-20(10-12-21)25(26,27)28;1-23(2,15-33-19-10-8-18(9-11-19)24(26,27)28)14-31(13-17-6-4-5-7-20(17)25)22(32)21-12-29-16-30(21)3;1-22(2,16-35-19-11-32-21(33-12-19)24(28,29)30)15-34(13-17-6-5-9-31-10-17)14-18-7-3-4-8-20(18)23(25,26)27;1-17(15-32-21-10-8-20(9-11-21)24(25,26)27)13-30(14-19-7-5-4-6-18(19)2)23(31)22-12-28-16-29(22)3;1-22(2,15-32-19-8-6-18(7-9-19)23(24,25)26)14-30(13-17-5-4-10-27-11-17)21(31)20-12-28-16-29(20)3/h5-13,17H,14-16H2,1-4H3;4-12,16H,13-15H2,1-3H3;3-12H,13-16H2,1-2H3;4-12,16-17H,13-15H2,1-3H3;4-12,16H,13-15H2,1-3H3
InChIKeyJQAWXWGUOWQPTR-UHFFFAOYSA-N
MW2329.87 g/mol
LogP27.04
Rot. Bonds41
About N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide
N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide (PubChem CID 167600279) has the molecular formula C120H128ClF18N17O9 and a molecular weight of 2329.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide.
Molecular Properties
| Compound Name | N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide |
|---|---|
| PubChem CID | 167600279 |
| Molecular Formula | C120H128ClF18N17O9 |
| Molecular Weight | 2329.87 g/mol |
| Exact Mass | 2327.95 |
| IUPAC Name | N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide |
| SMILES | CC(C)(COc1cnc(C(F)(F)F)nc1)CN(Cc1cccnc1)Cc1ccccc1C(F)(F)F.Cc1ccccc1CN(CC(C)(C)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cc1ccccc1CN(CC(C)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C25H28F3N3O2.C24H25ClF3N3O2.C24H24F6N4O.C24H26F3N3O2.C23H25F3N4O2/c1-18-7-5-6-8-19(18)14-31(23(32)22-13-29-17-30(22)4)15-24(2,3)16-33-21-11-9-20(10-12-21)25(26,27)28;1-23(2,15-33-19-10-8-18(9-11-19)24(26,27)28)14-31(13-17-6-4-5-7-20(17)25)22(32)21-12-29-16-30(21)3;1-22(2,16-35-19-11-32-21(33-12-19)24(28,29)30)15-34(13-17-6-5-9-31-10-17)14-18-7-3-4-8-20(18)23(25,26)27;1-17(15-32-21-10-8-20(9-11-21)24(25,26)27)13-30(14-19-7-5-4-6-18(19)2)23(31)22-12-28-16-29(22)3;1-22(2,15-32-19-8-6-18(7-9-19)23(24,25)26)14-30(13-17-5-4-10-27-11-17)21(31)20-12-28-16-29(20)3/h5-13,17H,14-16H2,1-4H3;4-12,16H,13-15H2,1-3H3;3-12H,13-16H2,1-2H3;4-12,16-17H,13-15H2,1-3H3;4-12,16H,13-15H2,1-3H3 |
| InChIKey | JQAWXWGUOWQPTR-UHFFFAOYSA-N |
| XLogP | 27.04 |
| TPSA | 253.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 165 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2329.87 |
| LogP ≤ 5 | 27.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide (CID 167600279) is N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide is CC(C)(COc1cnc(C(F)(F)F)nc1)CN(Cc1cccnc1)Cc1ccccc1C(F)(F)F.Cc1ccccc1CN(CC(C)(C)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cc1ccccc1CN(CC(C)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide?
The InChIKey is JQAWXWGUOWQPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2.C24H25ClF3N3O2.C24H24F6N4O.C24H26F3N3O2.C23H25F3N4O2/c1-18-7-5-6-8-19(18)14-31(23(32)22-13-29-17-30(22)4)15-24(2,3)16-33-21-11-9-20(10-12-21)25(26,27)28;1-23(2,15-33-19-10-8-18(9-11-19)24(26,27)28)14-31(13-17-6-4-5-7-20(17)25)22(32)21-12-29-16-30(21)3;1-22(2,16-35-19-11-32-21(33-12-19)24(28,29)30)15-34(13-17-6-5-9-31-10-17)14-18-7-3-4-8-20(18)23(25,26)27;1-17(15-32-21-10-8-20(9-11-21)24(25,26)27)13-30(14-19-7-5-4-6-18(19)2)23(31)22-12-28-16-29(22)3;1-22(2,15-32-19-8-6-18(7-9-19)23(24,25)26)14-30(13-17-5-4-10-27-11-17)21(31)20-12-28-16-29(20)3/h5-13,17H,14-16H2,1-4H3;4-12,16H,13-15H2,1-3H3;3-12H,13-16H2,1-2H3;4-12,16-17H,13-15H2,1-3H3;4-12,16H,13-15H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide has a molecular weight of 2329.87 g/mol, XLogP of 27.04, 41 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-(pyridin-3-ylmethyl)imidazole-4-carboxamide;3-methyl-N-[(2-methylphenyl)methyl]-N-[2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide is sourced from PubChem (CID 167600279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 167600279 — identifiers, structure, computed properties (public domain)
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