4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

C13H13F3N6O2 — CID 91631516

IUPAC4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C13H13F3N6O2/c14-13(15,16)9-5-10(19-7-18-9)21-1-3-22(4-2-21)11(23)8-6-17-12(24)20-8/h5-7H,1-4H2,(H2,17,20,24)
InChIKeyOMMDQLZZHPNTKF-UHFFFAOYSA-N
MW342.28 g/mol
LogP0.47
Rot. Bonds2

About 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 91631516) has the molecular formula C13H13F3N6O2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID91631516
Molecular FormulaC13H13F3N6O2
Molecular Weight342.28 g/mol
Exact Mass342.11
IUPAC Name4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C13H13F3N6O2/c14-13(15,16)9-5-10(19-7-18-9)21-1-3-22(4-2-21)11(23)8-6-17-12(24)20-8/h5-7H,1-4H2,(H2,17,20,24)
InChIKeyOMMDQLZZHPNTKF-UHFFFAOYSA-N
XLogP0.47
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 91631516) is 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is OMMDQLZZHPNTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6O2/c14-13(15,16)9-5-10(19-7-18-9)21-1-3-22(4-2-21)11(23)8-6-17-12(24)20-8/h5-7H,1-4H2,(H2,17,20,24).
What are the key properties of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 342.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 91631516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).