N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide

C86H88Cl3F9N16O12 — CID 167641929

About N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide (PubChem CID 167641929) has the molecular formula C86H88Cl3F9N16O12 and a molecular weight of 1815.09 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide
• PubChem CID: 167641929
• Molecular Formula: C86H88Cl3F9N16O12
• Molecular Weight: 1815.09 g/mol
• Exact Mass: 1812.57
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide
• SMILES: Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cc1ncc(OCC(O)CN(Cc2ccccc2Cl)C(=O)c2cncn2C)cn1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1c(Cl)ccnc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C23H24F3N3O3.C22H23F3N4O3.C21H19Cl2F3N4O3.C20H22ClN5O3/c1-16-5-3-4-6-17(16)12-29(22(31)21-11-27-15-28(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-15-16(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;1-29-12-27-8-18(29)20(32)30(10-16-17(22)6-7-28-19(16)23)9-14(31)11-33-15-4-2-13(3-5-15)21(24,25)26;1-14-23-7-17(8-24-14)29-12-16(27)11-26(10-15-5-3-4-6-18(15)21)20(28)19-9-22-13-25(19)2/h3-11,15,19,30H,12-14H2,1-2H3;3-10,14,18,30H,11-13H2,1-2H3;2-8,12,14,31H,9-11H2,1H3;3-9,13,16,27H,10-12H2,1-2H3
• InChIKey: PHAAXLPLWRUHJE-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 321.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1815.09
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide (CID 167641929) is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cc1ncc(OCC(O)CN(Cc2ccccc2Cl)C(=O)c2cncn2C)cn1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1c(Cl)ccnc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

The InChIKey is PHAAXLPLWRUHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3.C22H23F3N4O3.C21H19Cl2F3N4O3.C20H22ClN5O3/c1-16-5-3-4-6-17(16)12-29(22(31)21-11-27-15-28(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-15-16(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;1-29-12-27-8-18(29)20(32)30(10-16-17(22)6-7-28-19(16)23)9-14(31)11-33-15-4-2-13(3-5-15)21(24,25)26;1-14-23-7-17(8-24-14)29-12-16(27)11-26(10-15-5-3-4-6-18(15)21)20(28)19-9-22-13-25(19)2/h3-11,15,19,30H,12-14H2,1-2H3;3-10,14,18,30H,11-13H2,1-2H3;2-8,12,14,31H,9-11H2,1H3;3-9,13,16,27H,10-12H2,1-2H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide?

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide has a molecular weight of 1815.09 g/mol, XLogP of 13.53, 32 rotatable bonds, 4 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-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 167641929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).