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

C13H16F3N3O4 — CID 118019329

IUPAC4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCOCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H16F3N3O4/c1-18-11(23-6-5-22-2)10(20)19(12(18)21)9-7-8(3-4-17-9)13(14,15)16/h3-4,7,10-11,20H,5-6H2,1-2H3
InChIKeyMTHQFOPRAHXNFB-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.28
Rot. Bonds5

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

4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019329) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.28 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019329
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC Name4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCOCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H16F3N3O4/c1-18-11(23-6-5-22-2)10(20)19(12(18)21)9-7-8(3-4-17-9)13(14,15)16/h3-4,7,10-11,20H,5-6H2,1-2H3
InChIKeyMTHQFOPRAHXNFB-UHFFFAOYSA-N
XLogP1.28
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019329) is 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is COCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is MTHQFOPRAHXNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O4/c1-18-11(23-6-5-22-2)10(20)19(12(18)21)9-7-8(3-4-17-9)13(14,15)16/h3-4,7,10-11,20H,5-6H2,1-2H3.
What are the key properties of 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 335.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).