3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one

C15H15F3N4O — CID 167980563

IUPAC3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1NCCC1CCn1cc(C(F)(F)F)nc1-c1cccnc1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-9-22(7-4-10-3-6-20-14(10)23)13(21-12)11-2-1-5-19-8-11/h1-2,5,8-10H,3-4,6-7H2,(H,20,23)
InChIKeyIBQUBHNPKHDESC-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.49
Rot. Bonds4

About 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one

3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 167980563) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one
PubChem CID167980563
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1NCCC1CCn1cc(C(F)(F)F)nc1-c1cccnc1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-9-22(7-4-10-3-6-20-14(10)23)13(21-12)11-2-1-5-19-8-11/h1-2,5,8-10H,3-4,6-7H2,(H,20,23)
InChIKeyIBQUBHNPKHDESC-UHFFFAOYSA-N
XLogP2.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one (CID 167980563) is 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one is O=C1NCCC1CCn1cc(C(F)(F)F)nc1-c1cccnc1.
What is the InChIKey of 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is IBQUBHNPKHDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)12-9-22(7-4-10-3-6-20-14(10)23)13(21-12)11-2-1-5-19-8-11/h1-2,5,8-10H,3-4,6-7H2,(H,20,23).
What are the key properties of 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 324.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 167980563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).