4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C16H15F3N4O2 — CID 118019220

IUPAC4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCC1C(O)N(c2cc(C(F)(F)F)c(-c3ccccn3)cn2)C(=O)N1C
InChIInChI=1S/C16H15F3N4O2/c1-9-14(24)23(15(25)22(9)2)13-7-11(16(17,18)19)10(8-21-13)12-5-3-4-6-20-12/h3-9,14,24H,1-2H3
InChIKeyJEVJVMPENJUAPI-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.74
Rot. Bonds2

About 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019220) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019220
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCC1C(O)N(c2cc(C(F)(F)F)c(-c3ccccn3)cn2)C(=O)N1C
InChIInChI=1S/C16H15F3N4O2/c1-9-14(24)23(15(25)22(9)2)13-7-11(16(17,18)19)10(8-21-13)12-5-3-4-6-20-12/h3-9,14,24H,1-2H3
InChIKeyJEVJVMPENJUAPI-UHFFFAOYSA-N
XLogP2.74
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019220) is 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CC1C(O)N(c2cc(C(F)(F)F)c(-c3ccccn3)cn2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is JEVJVMPENJUAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-9-14(24)23(15(25)22(9)2)13-7-11(16(17,18)19)10(8-21-13)12-5-3-4-6-20-12/h3-9,14,24H,1-2H3.
What are the key properties of 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 352.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5-dimethyl-3-[5-pyridin-2-yl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).