1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one

C17H22F3N3O — CID 126810902

IUPAC1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)15-3-1-13(2-4-15)14-5-8-22(9-6-14)11-12-23-10-7-21-16(23)24/h1-4,14H,5-12H2,(H,21,24)
InChIKeyABIRZKYRNYNROS-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 126810902) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID126810902
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)15-3-1-13(2-4-15)14-5-8-22(9-6-14)11-12-23-10-7-21-16(23)24/h1-4,14H,5-12H2,(H,21,24)
InChIKeyABIRZKYRNYNROS-UHFFFAOYSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-[5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 139913120
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
1-methyl-6-(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4682813
5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917262
1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 55260993
1-[2-[4-(6-methyl-1-pyridin-4-ylindol-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 19379840
1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 63037530
1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 107109700
1-[2-[2-amino-4-(trifluoromethyl)phenoxy]ethyl]imidazolidin-2-one
CID 82008405
1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 82690778
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-4-carboxylate
CID 62026129

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 126810902) is 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is ABIRZKYRNYNROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c18-17(19,20)15-3-1-13(2-4-15)14-5-8-22(9-6-14)11-12-23-10-7-21-16(23)24/h1-4,14H,5-12H2,(H,21,24).
What are the key properties of 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 341.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 126810902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).