2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C21H19ClF3N5O — CID 118030507

IUPAC2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1
InChIInChI=1S/C21H19ClF3N5O/c22-16-4-2-1-3-14(16)11-19(31)30-9-7-29(8-10-30)18-6-5-15(12-26-18)20-27-13-17(28-20)21(23,24)25/h1-6,12-13H,7-11H2,(H,27,28)
InChIKeyPGQLGNUTVFWHQJ-UHFFFAOYSA-N
MW449.86 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 118030507) has the molecular formula C21H19ClF3N5O and a molecular weight of 449.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID118030507
Molecular FormulaC21H19ClF3N5O
Molecular Weight449.86 g/mol
Exact Mass449.12
IUPAC Name2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1
InChIInChI=1S/C21H19ClF3N5O/c22-16-4-2-1-3-14(16)11-19(31)30-9-7-29(8-10-30)18-6-5-15(12-26-18)20-27-13-17(28-20)21(23,24)25/h1-6,12-13H,7-11H2,(H,27,28)
InChIKeyPGQLGNUTVFWHQJ-UHFFFAOYSA-N
XLogP4.04
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.86
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 118030507) is 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is PGQLGNUTVFWHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O/c22-16-4-2-1-3-14(16)11-19(31)30-9-7-29(8-10-30)18-6-5-15(12-26-18)20-27-13-17(28-20)21(23,24)25/h1-6,12-13H,7-11H2,(H,27,28).
What are the key properties of 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 449.86 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118030507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).