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

C12H14F3N3O3 — CID 118010876

IUPAC(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCO[C@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C12H14F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15/h4-6,9-10,19H,3H2,1-2H3/t9?,10-/m0/s1
InChIKeyPHZSPMUIHAUXQQ-AXDSSHIGSA-N
MW305.26 g/mol
LogP1.65
Rot. Bonds3

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

(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118010876) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118010876
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCO[C@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C12H14F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15/h4-6,9-10,19H,3H2,1-2H3/t9?,10-/m0/s1
InChIKeyPHZSPMUIHAUXQQ-AXDSSHIGSA-N
XLogP1.65
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118010876) is (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CCO[C@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is PHZSPMUIHAUXQQ-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15/h4-6,9-10,19H,3H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 305.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118010876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).