N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole

C115H114ClF15N12O9S — CID 167663257

About N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole

N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole (PubChem CID 167663257) has the molecular formula C115H114ClF15N12O9S and a molecular weight of 2160.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole
• PubChem CID: 167663257
• Molecular Formula: C115H114ClF15N12O9S
• Molecular Weight: 2160.74 g/mol
• Exact Mass: 2158.80
• IUPAC Name: N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole
• SMILES: Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncn1C.Cc1ccccc1CN(Cc1cccnc1)C(=O)C(O)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.FC(F)(F)c1ccc(OCCCN2CCc3ccccc3C2c2cncs2)cc1
• InChI: InChI=1S/C24H23F3N2O3.C24H23F3N2O2.C23H26F3N3O.C22H21ClF3N3O2.C22H21F3N2OS/c1-17-5-2-3-7-19(17)15-29(14-18-6-4-12-28-13-18)23(31)22(30)16-32-21-10-8-20(9-11-21)24(25,26)27;1-18-6-2-3-7-20(18)17-29(23(30)19-8-4-13-28-16-19)14-5-15-31-22-11-9-21(10-12-22)24(25,26)27;1-18-6-3-4-7-19(18)15-29(16-21-14-27-17-28(21)2)12-5-13-30-22-10-8-20(9-11-22)23(24,25)26;1-28-15-27-13-20(28)21(30)29(14-16-5-2-3-6-19(16)23)11-4-12-31-18-9-7-17(8-10-18)22(24,25)26;23-22(24,25)17-6-8-18(9-7-17)28-13-3-11-27-12-10-16-4-1-2-5-19(16)21(27)20-14-26-15-29-20/h2-13,22,30H,14-16H2,1H3;2-4,6-13,16H,5,14-15,17H2,1H3;3-4,6-11,14,17H,5,12-13,15-16H2,1-2H3;2-3,5-10,13,15H,4,11-12,14H2,1H3;1-2,4-9,14-15,21H,3,10-13H2
• InChIKey: SGIMINUDSPVJBZ-UHFFFAOYSA-N
• XLogP: 25.90
• TPSA: 208.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.74
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole?

The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole (CID 167663257) is N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole is Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncn1C.Cc1ccccc1CN(Cc1cccnc1)C(=O)C(O)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.FC(F)(F)c1ccc(OCCCN2CCc3ccccc3C2c2cncs2)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole?

The InChIKey is SGIMINUDSPVJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3.C24H23F3N2O2.C23H26F3N3O.C22H21ClF3N3O2.C22H21F3N2OS/c1-17-5-2-3-7-19(17)15-29(14-18-6-4-12-28-13-18)23(31)22(30)16-32-21-10-8-20(9-11-21)24(25,26)27;1-18-6-2-3-7-20(18)17-29(23(30)19-8-4-13-28-16-19)14-5-15-31-22-11-9-21(10-12-22)24(25,26)27;1-18-6-3-4-7-19(18)15-29(16-21-14-27-17-28(21)2)12-5-13-30-22-10-8-20(9-11-22)23(24,25)26;1-28-15-27-13-20(28)21(30)29(14-16-5-2-3-6-19(16)23)11-4-12-31-18-9-7-17(8-10-18)22(24,25)26;23-22(24,25)17-6-8-18(9-7-17)28-13-3-11-27-12-10-16-4-1-2-5-19(16)21(27)20-14-26-15-29-20/h2-13,22,30H,14-16H2,1H3;2-4,6-13,16H,5,14-15,17H2,1H3;3-4,6-11,14,17H,5,12-13,15-16H2,1-2H3;2-3,5-10,13,15H,4,11-12,14H2,1H3;1-2,4-9,14-15,21H,3,10-13H2.

What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole?

N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole has a molecular weight of 2160.74 g/mol, XLogP of 25.90, 39 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;2-hydroxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propanamide;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide;5-[2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1,3-thiazole is sourced from PubChem (CID 167663257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).