N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide

C116H118ClF15N12O9 — CID 167671645

About N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide (PubChem CID 167671645) has the molecular formula C116H118ClF15N12O9 and a molecular weight of 2144.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide
• PubChem CID: 167671645
• Molecular Formula: C116H118ClF15N12O9
• Molecular Weight: 2144.72 g/mol
• Exact Mass: 2142.86
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide
• SMILES: Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN2CCc3ccccc3C2C2=CC=CC2)cc1
• InChI: InChI=1S/C24H23F3N2O2.C24H24F3NO.C23H24F3N3O2.C23H26F3N3O.C22H21ClF3N3O3/c1-18-6-2-3-7-20(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;25-24(26,27)20-10-12-21(13-11-20)29-17-5-15-28-16-14-18-6-3-4-9-22(18)23(28)19-7-1-2-8-19;1-17-6-3-4-7-18(17)15-29(22(30)21-14-27-16-28(21)2)12-5-13-31-20-10-8-19(9-11-20)23(24,25)26;1-18-6-3-4-7-19(18)16-29(17-22-27-12-14-28(22)2)13-5-15-30-21-10-8-20(9-11-21)23(24,25)26;1-28-14-27-10-20(28)21(31)29(11-15-4-2-3-5-19(15)23)12-17(30)13-32-18-8-6-16(7-9-18)22(24,25)26/h2-4,6-13,16H,5,14-15,17H2,1H3;1-4,6-7,9-13,23H,5,8,14-17H2;3-4,6-11,14,16H,5,12-13,15H2,1-2H3;3-4,6-12,14H,5,13,15-17H2,1-2H3;2-10,14,17,30H,11-13H2,1H3
• InChIKey: UEZMVMGXOFRCKU-UHFFFAOYSA-N
• XLogP: 25.73
• TPSA: 200.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 39
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.72
LogP ≤ 5	25.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide (CID 167671645) is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide is Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1nccn1C.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(OCCCN2CCc3ccccc3C2C2=CC=CC2)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide?

The InChIKey is UEZMVMGXOFRCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2.C24H24F3NO.C23H24F3N3O2.C23H26F3N3O.C22H21ClF3N3O3/c1-18-6-2-3-7-20(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;25-24(26,27)20-10-12-21(13-11-20)29-17-5-15-28-16-14-18-6-3-4-9-22(18)23(28)19-7-1-2-8-19;1-17-6-3-4-7-18(17)15-29(22(30)21-14-27-16-28(21)2)12-5-13-31-20-10-8-19(9-11-20)23(24,25)26;1-18-6-3-4-7-19(18)16-29(17-22-27-12-14-28(22)2)13-5-15-30-21-10-8-20(9-11-21)23(24,25)26;1-28-14-27-10-20(28)21(31)29(11-15-4-2-3-5-19(15)23)12-17(30)13-32-18-8-6-16(7-9-18)22(24,25)26/h2-4,6-13,16H,5,14-15,17H2,1H3;1-4,6-7,9-13,23H,5,8,14-17H2;3-4,6-11,14,16H,5,12-13,15H2,1-2H3;3-4,6-12,14H,5,13,15-17H2,1-2H3;2-10,14,17,30H,11-13H2,1H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide?

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide has a molecular weight of 2144.72 g/mol, XLogP of 25.73, 39 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;1-cyclopenta-1,3-dien-1-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;N-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-methyl-N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-[3-[4-(trifluoromethyl)phenoxy]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 167671645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).