3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one

C14H15F3N6O2 — CID 167472157

IUPAC3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=C(Cn1cc[nH]c1=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H15F3N6O2/c15-14(16,17)10-7-19-12(20-8-10)22-5-3-21(4-6-22)11(24)9-23-2-1-18-13(23)25/h1-2,7-8H,3-6,9H2,(H,18,25)
InChIKeyBACDDPMSHRGLFO-UHFFFAOYSA-N
MW356.31 g/mol
LogP0.33
Rot. Bonds3

About 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 167472157) has the molecular formula C14H15F3N6O2 and a molecular weight of 356.31 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID167472157
Molecular FormulaC14H15F3N6O2
Molecular Weight356.31 g/mol
Exact Mass356.12
IUPAC Name3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=C(Cn1cc[nH]c1=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H15F3N6O2/c15-14(16,17)10-7-19-12(20-8-10)22-5-3-21(4-6-22)11(24)9-23-2-1-18-13(23)25/h1-2,7-8H,3-6,9H2,(H,18,25)
InChIKeyBACDDPMSHRGLFO-UHFFFAOYSA-N
XLogP0.33
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one (CID 167472157) is 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one is O=C(Cn1cc[nH]c1=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is BACDDPMSHRGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O2/c15-14(16,17)10-7-19-12(20-8-10)22-5-3-21(4-6-22)11(24)9-23-2-1-18-13(23)25/h1-2,7-8H,3-6,9H2,(H,18,25).
What are the key properties of 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 356.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 167472157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).