N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine

C84H84Cl2F12N18O9 — CID 167575615

About N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine (PubChem CID 167575615) has the molecular formula C84H84Cl2F12N18O9 and a molecular weight of 1788.59 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine
• PubChem CID: 167575615
• Molecular Formula: C84H84Cl2F12N18O9
• Molecular Weight: 1788.59 g/mol
• Exact Mass: 1786.59
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine
• SMILES: Cc1ccccc1CN(CCCOc1cnc(C(F)(F)F)nc1)Cc1cccnc1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(CCCOc1cnc(C(F)(F)F)nc1)Cc1ccccc1Cl.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1cnc(C(F)(F)F)nc1
• InChI: InChI=1S/C22H23F3N4O3.C22H23F3N4O.C20H19ClF3N5O3.C20H19ClF3N5O2/c1-15-16(4-3-9-27-15)11-29(21(31)20-10-26-14-28(20)2)12-18(30)13-32-19-7-5-17(6-8-19)22(23,24)25;1-17-6-2-3-8-19(17)16-29(15-18-7-4-9-26-12-18)10-5-11-30-20-13-27-21(28-14-20)22(23,24)25;1-28-12-25-8-17(28)18(31)29(9-13-4-2-3-5-16(13)21)10-14(30)11-32-15-6-26-19(27-7-15)20(22,23)24;1-28-13-25-11-17(28)18(30)29(12-14-5-2-3-6-16(14)21)7-4-8-31-15-9-26-19(27-10-15)20(22,23)24/h3-10,14,18,30H,11-13H2,1-2H3;2-4,6-9,12-14H,5,10-11,15-16H2,1H3;2-8,12,14,30H,9-11H2,1H3;2-3,5-6,9-11,13H,4,7-8,12H2,1H3
• InChIKey: GMJNFHUQBFIIKB-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 298.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.59
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine (CID 167575615) is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine is Cc1ccccc1CN(CCCOc1cnc(C(F)(F)F)nc1)Cc1cccnc1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(CCCOc1cnc(C(F)(F)F)nc1)Cc1ccccc1Cl.Cn1cncc1C(=O)N(Cc1ccccc1Cl)CC(O)COc1cnc(C(F)(F)F)nc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

The InChIKey is GMJNFHUQBFIIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3.C22H23F3N4O.C20H19ClF3N5O3.C20H19ClF3N5O2/c1-15-16(4-3-9-27-15)11-29(21(31)20-10-26-14-28(20)2)12-18(30)13-32-19-7-5-17(6-8-19)22(23,24)25;1-17-6-2-3-8-19(17)16-29(15-18-7-4-9-26-12-18)10-5-11-30-20-13-27-21(28-14-20)22(23,24)25;1-28-12-25-8-17(28)18(31)29(9-13-4-2-3-5-16(13)21)10-14(30)11-32-15-6-26-19(27-7-15)20(22,23)24;1-28-13-25-11-17(28)18(30)29(12-14-5-2-3-6-16(14)21)7-4-8-31-15-9-26-19(27-10-15)20(22,23)24/h3-10,14,18,30H,11-13H2,1-2H3;2-4,6-9,12-14H,5,10-11,15-16H2,1H3;2-8,12,14,30H,9-11H2,1H3;2-3,5-6,9-11,13H,4,7-8,12H2,1H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine?

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine has a molecular weight of 1788.59 g/mol, XLogP of 14.85, 33 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]oxypropan-1-amine is sourced from PubChem (CID 167575615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).