1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C91H92F12N8O11S2 — CID 167614699

About 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 167614699) has the molecular formula C91H92F12N8O11S2 and a molecular weight of 1765.89 g/mol. Its IUPAC name is 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 167614699
• Molecular Formula: C91H92F12N8O11S2
• Molecular Weight: 1765.89 g/mol
• Exact Mass: 1764.61
• IUPAC Name: 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cscn1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccn1C.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccs1.Cc1ccccc1CN(CC1=CCC=C1)CC(O)COc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C24H26F3NO2.C23H24F3N3O3.2C22H21F3N2O3S/c1-18-6-2-5-9-20(18)15-28(14-19-7-3-4-8-19)16-22(29)17-30-23-12-10-21(11-13-23)24(25,26)27;1-16-5-3-4-6-17(16)13-29(22(31)21-27-11-12-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;1-15-4-2-3-5-16(15)10-27(21(29)20-13-31-14-26-20)11-18(28)12-30-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-27(21(29)20-26-10-11-31-20)13-18(28)14-30-19-8-6-17(7-9-19)22(23,24)25/h2-3,5-13,22,29H,4,14-17H2,1H3;3-12,19,30H,13-15H2,1-2H3;2-9,13-14,18,28H,10-12H2,1H3;2-11,18,28H,12-14H2,1H3
• InChIKey: LOOTUTZVPIKEPI-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 225.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.89
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 167614699) is 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cscn1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccn1C.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1nccs1.Cc1ccccc1CN(CC1=CCC=C1)CC(O)COc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is LOOTUTZVPIKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3NO2.C23H24F3N3O3.2C22H21F3N2O3S/c1-18-6-2-5-9-20(18)15-28(14-19-7-3-4-8-19)16-22(29)17-30-23-12-10-21(11-13-23)24(25,26)27;1-16-5-3-4-6-17(16)13-29(22(31)21-27-11-12-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;1-15-4-2-3-5-16(15)10-27(21(29)20-13-31-14-26-20)11-18(28)12-30-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-27(21(29)20-26-10-11-31-20)13-18(28)14-30-19-8-6-17(7-9-19)22(23,24)25/h2-3,5-13,22,29H,4,14-17H2,1H3;3-12,19,30H,13-15H2,1-2H3;2-9,13-14,18,28H,10-12H2,1H3;2-11,18,28H,12-14H2,1H3.

What are the key properties of 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?

1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 1765.89 g/mol, XLogP of 18.08, 33 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopenta-1,4-dien-1-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167614699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).