2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

C20H19F3N4O2 — CID 71798695

IUPAC2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-5-6-18(24-11-14)29-15-7-9-26(10-8-15)19(28)12-27-13-25-16-3-1-2-4-17(16)27/h1-6,11,13,15H,7-10,12H2
InChIKeyLZJWDNYJUSRNAY-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.52
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 71798695) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID71798695
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-5-6-18(24-11-14)29-15-7-9-26(10-8-15)19(28)12-27-13-25-16-3-1-2-4-17(16)27/h1-6,11,13,15H,7-10,12H2
InChIKeyLZJWDNYJUSRNAY-UHFFFAOYSA-N
XLogP3.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 71798695) is 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is LZJWDNYJUSRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)14-5-6-18(24-11-14)29-15-7-9-26(10-8-15)19(28)12-27-13-25-16-3-1-2-4-17(16)27/h1-6,11,13,15H,7-10,12H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 404.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71798695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).