N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline

C90H91ClF9N13O8 — CID 167629878

About N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 167629878) has the molecular formula C90H91ClF9N13O8 and a molecular weight of 1689.24 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-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
• PubChem CID: 167629878
• Molecular Formula: C90H91ClF9N13O8
• Molecular Weight: 1689.24 g/mol
• Exact Mass: 1687.67
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
• SMILES: Cc1ncc(OCC(O)CN(Cc2ccccc2Cl)C(=O)c2cncn2C)cn1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3C[C@@H]2c2cccnc2)cc1.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3C[C@H]2c2cccnc2)cc1
• InChI: InChI=1S/2C24H23F3N2O.C22H23F3N4O3.C20H22ClN5O3/c2*25-24(26,27)21-8-10-22(11-9-21)30-14-4-13-29-17-20-6-2-1-5-18(20)15-23(29)19-7-3-12-28-16-19;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;1-14-23-7-17(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/h2*1-3,5-12,16,23H,4,13-15,17H2;3-10,14,18,30H,11-13H2,1-2H3;3-9,13,16,27H,10-12H2,1-2H3/t2*23-;;/m10../s1
• InChIKey: NQDXDEXBXVMRDB-MRMAFYIGSA-N
• XLogP: 16.82
• TPSA: 224.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.24
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline (CID 167629878) is N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline.

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-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline is Cc1ncc(OCC(O)CN(Cc2ccccc2Cl)C(=O)c2cncn2C)cn1.Cc1ncccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3C[C@@H]2c2cccnc2)cc1.FC(F)(F)c1ccc(OCCCN2Cc3ccccc3C[C@H]2c2cccnc2)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-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

The InChIKey is NQDXDEXBXVMRDB-MRMAFYIGSA-N. The full InChI is InChI=1S/2C24H23F3N2O.C22H23F3N4O3.C20H22ClN5O3/c2*25-24(26,27)21-8-10-22(11-9-21)30-14-4-13-29-17-20-6-2-1-5-18(20)15-23(29)19-7-3-12-28-16-19;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;1-14-23-7-17(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/h2*1-3,5-12,16,23H,4,13-15,17H2;3-10,14,18,30H,11-13H2,1-2H3;3-9,13,16,27H,10-12H2,1-2H3/t2*23-;;/m10../s1.

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-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline?

N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-(2-methylpyrimidin-5-yl)oxypropyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 1689.24 g/mol, XLogP of 16.82, 28 rotatable bonds, 2 hydrogen bond donors, and 19 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-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methyl-3-pyridinyl)methyl]imidazole-4-carboxamide;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 167629878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).