2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid

C22H21F3N4O2 — CID 118134625

IUPAC2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)18-13-27-21(28-18)17-5-6-19(26-12-17)29-9-7-16(8-10-29)15-3-1-14(2-4-15)11-20(30)31/h1-6,12-13,16H,7-11H2,(H,27,28)(H,30,31)
InChIKeyMFXLGOYIWUCODS-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.50
Rot. Bonds5

About 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid

2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid (PubChem CID 118134625) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid
PubChem CID118134625
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)18-13-27-21(28-18)17-5-6-19(26-12-17)29-9-7-16(8-10-29)15-3-1-14(2-4-15)11-20(30)31/h1-6,12-13,16H,7-11H2,(H,27,28)(H,30,31)
InChIKeyMFXLGOYIWUCODS-UHFFFAOYSA-N
XLogP4.50
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid (CID 118134625) is 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid is O=C(O)Cc1ccc(C2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1.
What is the InChIKey of 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid?
The InChIKey is MFXLGOYIWUCODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)18-13-27-21(28-18)17-5-6-19(26-12-17)29-9-7-16(8-10-29)15-3-1-14(2-4-15)11-20(30)31/h1-6,12-13,16H,7-11H2,(H,27,28)(H,30,31).
What are the key properties of 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid?
2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid has a molecular weight of 430.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]phenyl]acetic acid is sourced from PubChem (CID 118134625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).