1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C110H111Cl2F15N12O9S3 — CID 167574871

About 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 167574871) has the molecular formula C110H111Cl2F15N12O9S3 and a molecular weight of 2198.26 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
• PubChem CID: 167574871
• Molecular Formula: C110H111Cl2F15N12O9S3
• Molecular Weight: 2198.26 g/mol
• Exact Mass: 2195.70
• IUPAC Name: 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
• SMILES: Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.Cn1ccnc1CN(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cncs1)Cc1ccccc1Cl.[2H]C1(c2cncs2)c2ccccc2CCN1CCCOc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C23H24F3N3O3.C22H23ClF3N3O2.C22H21F3N2OS.C22H23F3N2OS.C21H20ClF3N2O2S/c1-15-5-3-4-6-17(15)12-29(22(31)21-11-27-28-16(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-28-11-10-27-21(28)14-29(12-16-4-2-3-5-20(16)23)13-18(30)15-31-19-8-6-17(7-9-19)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;1-17-5-2-3-6-18(17)14-27(15-21-13-26-16-29-21)11-4-12-28-20-9-7-19(8-10-20)22(23,24)25;22-20-4-2-1-3-15(20)10-27(12-19-9-26-14-30-19)11-17(28)13-29-18-7-5-16(6-8-18)21(23,24)25/h3-11,19,30H,12-14H2,1-2H3,(H,27,28);2-11,18,30H,12-15H2,1H3;1-2,4-9,14-15,21H,3,10-13H2;2-3,5-10,13,16H,4,11-12,14-15H2,1H3;1-9,14,17,28H,10-13H2/i;;21D
• InChIKey: GJVOTGHHZWSQLE-UCSQEVLISA-N
• XLogP: 25.44
• TPSA: 225.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 41
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.26
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

The IUPAC name of 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 167574871) is 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

The canonical SMILES for 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncs1.Cn1ccnc1CN(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1cncs1)Cc1ccccc1Cl.[2H]C1(c2cncs2)c2ccccc2CCN1CCCOc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

The InChIKey is GJVOTGHHZWSQLE-UCSQEVLISA-N. The full InChI is InChI=1S/C23H24F3N3O3.C22H23ClF3N3O2.C22H21F3N2OS.C22H23F3N2OS.C21H20ClF3N2O2S/c1-15-5-3-4-6-17(15)12-29(22(31)21-11-27-28-16(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-28-11-10-27-21(28)14-29(12-16-4-2-3-5-20(16)23)13-18(30)15-31-19-8-6-17(7-9-19)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;1-17-5-2-3-6-18(17)14-27(15-21-13-26-16-29-21)11-4-12-28-20-9-7-19(8-10-20)22(23,24)25;22-20-4-2-1-3-15(20)10-27(12-19-9-26-14-30-19)11-17(28)13-29-18-7-5-16(6-8-18)21(23,24)25/h3-11,19,30H,12-14H2,1-2H3,(H,27,28);2-11,18,30H,12-15H2,1H3;1-2,4-9,14-15,21H,3,10-13H2;2-3,5-10,13,16H,4,11-12,14-15H2,1H3;1-9,14,17,28H,10-13H2/i;;21D;;.

What are the key properties of 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?

1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 2198.26 g/mol, XLogP of 25.44, 41 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-chlorophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;5-[1-deuterio-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydroisoquinolin-1-yl]-1,3-thiazole;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(1,3-thiazol-5-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 167574871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).