3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile

C18H21F3N4O — CID 44622882

IUPAC3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile
SMILESN#[11C]c1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2/i13-1
InChIKeyZULQKQGLUORZDC-HSGWXFLFSA-N
MW365.39 g/mol
LogP3.07
Rot. Bonds4

About 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile

3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile (PubChem CID 44622882) has the molecular formula C18H21F3N4O and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile.

Molecular Properties

Compound Name3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile
PubChem CID44622882
Molecular FormulaC18H21F3N4O
Molecular Weight365.39 g/mol
Exact Mass365.18
IUPAC Name3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile
SMILESN#[11C]c1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2/i13-1
InChIKeyZULQKQGLUORZDC-HSGWXFLFSA-N
XLogP3.07
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile?
The IUPAC name of 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile (CID 44622882) is 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile.
What is the SMILES notation for 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile?
The canonical SMILES for 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile is N#[11C]c1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1.
What is the InChIKey of 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile?
The InChIKey is ZULQKQGLUORZDC-HSGWXFLFSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)15-4-6-23(7-5-15)8-9-24-10-11-25(17(24)26)16-3-1-2-14(12-16)13-22/h1-3,12,15H,4-11H2/i13-1.
What are the key properties of 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile?
3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl](11C)benzonitrile is sourced from PubChem (CID 44622882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).