2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid

C23H23F3N4O3 — CID 118134630

About 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid

2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid (PubChem CID 118134630) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid.

Molecular Properties

• Compound Name: 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
• PubChem CID: 118134630
• Molecular Formula: C23H23F3N4O3
• Molecular Weight: 460.46 g/mol
• Exact Mass: 460.17
• IUPAC Name: 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
• SMILES: Cc1ccc(OCC2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1C(=O)O
• InChI: InChI=1S/C23H23F3N4O3/c1-14-2-4-17(10-18(14)22(31)32)33-13-15-6-8-30(9-7-15)20-5-3-16(11-27-20)21-28-12-19(29-21)23(24,25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H,28,29)(H,31,32)
• InChIKey: IXENBISYTGFWGI-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 91.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.46
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?

The IUPAC name of 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid (CID 118134630) is 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid.

What is the SMILES notation for 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?

The canonical SMILES for 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid is Cc1ccc(OCC2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1C(=O)O.

What is the InChIKey of 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?

The InChIKey is IXENBISYTGFWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-14-2-4-17(10-18(14)22(31)32)33-13-15-6-8-30(9-7-15)20-5-3-16(11-27-20)21-28-12-19(29-21)23(24,25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H,28,29)(H,31,32).

What are the key properties of 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?

2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid has a molecular weight of 460.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 118134630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).