N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C96H98ClF15N10O8 — CID 167614664

About N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167614664) has the molecular formula C96H98ClF15N10O8 and a molecular weight of 1840.32 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• PubChem CID: 167614664
• Molecular Formula: C96H98ClF15N10O8
• Molecular Weight: 1840.32 g/mol
• Exact Mass: 1838.70
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• SMILES: Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1cccnc1)C(F)(F)F.Cc1ccccc1CN(Cc1cccnc1)CC(C)(O)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(C)(O)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C1c2ccccc2CCN1CCCOc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H24F6N2O2.C25H27F3N2O2.C23H23ClF3N3O3.C23H24F3N3O/c1-17-5-2-3-6-19(17)14-33(23(25(29,30)31)18-7-4-12-32-13-18)15-21(34)16-35-22-10-8-20(9-11-22)24(26,27)28;1-19-6-3-4-8-21(19)16-30(15-20-7-5-13-29-14-20)17-24(2,31)18-32-23-11-9-22(10-12-23)25(26,27)28;1-22(32,14-33-18-9-7-17(8-10-18)23(25,26)27)13-30(12-16-5-3-4-6-19(16)24)21(31)20-11-28-15-29(20)2;1-28-16-27-15-21(28)22-20-6-3-2-5-17(20)11-13-29(22)12-4-14-30-19-9-7-18(8-10-19)23(24,25)26/h2-13,21,23,34H,14-16H2,1H3;3-14,31H,15-18H2,1-2H3;3-11,15,32H,12-14H2,1-2H3;2-3,5-10,15-16,22H,4,11-14H2,1H3/t21?,23-;;;/m0.../s1
• InChIKey: LOKUYOAYPLYQON-JYMPCYKUSA-N
• XLogP: 20.62
• TPSA: 189.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 32
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.32
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167614664) is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1cccnc1)C(F)(F)F.Cc1ccccc1CN(Cc1cccnc1)CC(C)(O)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(C)(O)COc1ccc(C(F)(F)F)cc1.Cn1cncc1C1c2ccccc2CCN1CCCOc1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The InChIKey is LOKUYOAYPLYQON-JYMPCYKUSA-N. The full InChI is InChI=1S/C25H24F6N2O2.C25H27F3N2O2.C23H23ClF3N3O3.C23H24F3N3O/c1-17-5-2-3-6-19(17)14-33(23(25(29,30)31)18-7-4-12-32-13-18)15-21(34)16-35-22-10-8-20(9-11-22)24(26,27)28;1-19-6-3-4-8-21(19)16-30(15-20-7-5-13-29-14-20)17-24(2,31)18-32-23-11-9-22(10-12-23)25(26,27)28;1-22(32,14-33-18-9-7-17(8-10-18)23(25,26)27)13-30(12-16-5-3-4-6-19(16)24)21(31)20-11-28-15-29(20)2;1-28-16-27-15-21(28)22-20-6-3-2-5-17(20)11-13-29(22)12-4-14-30-19-9-7-18(8-10-19)23(24,25)26/h2-13,21,23,34H,14-16H2,1H3;3-14,31H,15-18H2,1-2H3;3-11,15,32H,12-14H2,1-2H3;2-3,5-10,15-16,22H,4,11-14H2,1H3/t21?,23-;;;/m0.../s1.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 1840.32 g/mol, XLogP of 20.62, 32 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-(3-methylimidazol-4-yl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;2-methyl-1-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167614664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).