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

C23H23F3N4O3 — CID 118134630

IUPAC2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
SMILESCc1ccc(OCC2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1C(=O)O
InChIInChI=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)
InChIKeyIXENBISYTGFWGI-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.79
Rot. Bonds6

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 Name2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
PubChem CID118134630
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
SMILESCc1ccc(OCC2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1C(=O)O
InChIInChI=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)
InChIKeyIXENBISYTGFWGI-UHFFFAOYSA-N
XLogP4.79
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).