4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C13H16F3N3O3 — CID 118019303

IUPAC4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H16F3N3O3/c1-3-6-22-11-10(20)19(12(21)18(11)2)9-7-8(4-5-17-9)13(14,15)16/h4-5,7,10-11,20H,3,6H2,1-2H3
InChIKeyGDLBPJMJFZIWMU-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.04
Rot. Bonds4

About 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019303) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019303
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H16F3N3O3/c1-3-6-22-11-10(20)19(12(21)18(11)2)9-7-8(4-5-17-9)13(14,15)16/h4-5,7,10-11,20H,3,6H2,1-2H3
InChIKeyGDLBPJMJFZIWMU-UHFFFAOYSA-N
XLogP2.04
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019303) is 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is GDLBPJMJFZIWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-3-6-22-11-10(20)19(12(21)18(11)2)9-7-8(4-5-17-9)13(14,15)16/h4-5,7,10-11,20H,3,6H2,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 319.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).