1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one

C13H17F2N3O3 — CID 118019240

IUPAC1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(C)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H17F2N3O3/c1-4-21-11-10(19)18(12(20)17(11)3)9-7-8(5-6-16-9)13(2,14)15/h5-7,10-11,19H,4H2,1-3H3
InChIKeyMJQNQKVDIFBATN-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one

1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one (PubChem CID 118019240) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
PubChem CID118019240
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(C)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H17F2N3O3/c1-4-21-11-10(19)18(12(20)17(11)3)9-7-8(5-6-16-9)13(2,14)15/h5-7,10-11,19H,4H2,1-3H3
InChIKeyMJQNQKVDIFBATN-UHFFFAOYSA-N
XLogP1.75
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-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 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one (CID 118019240) is 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one is CCOC1C(O)N(c2cc(C(C)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
The InChIKey is MJQNQKVDIFBATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-4-21-11-10(19)18(12(20)17(11)3)9-7-8(5-6-16-9)13(2,14)15/h5-7,10-11,19H,4H2,1-3H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one?
1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one has a molecular weight of 301.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 118019240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).