4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

C14H14F3N5O2 — CID 9426813

IUPAC4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)9-1-2-11(18-7-9)21-3-5-22(6-4-21)12(23)10-8-19-13(24)20-10/h1-2,7-8H,3-6H2,(H2,19,20,24)
InChIKeyYXAKZFNPCBAXPR-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.08
Rot. Bonds2

About 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 9426813) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID9426813
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)9-1-2-11(18-7-9)21-3-5-22(6-4-21)12(23)10-8-19-13(24)20-10/h1-2,7-8H,3-6H2,(H2,19,20,24)
InChIKeyYXAKZFNPCBAXPR-UHFFFAOYSA-N
XLogP1.08
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 9426813) is 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is YXAKZFNPCBAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)9-1-2-11(18-7-9)21-3-5-22(6-4-21)12(23)10-8-19-13(24)20-10/h1-2,7-8H,3-6H2,(H2,19,20,24).
What are the key properties of 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 341.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 9426813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).