5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one

C11H11F3IN3O3 — CID 118019265

IUPAC5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one
SMILESCOC1C(O)N(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C
InChIInChI=1S/C11H11F3IN3O3/c1-17-9(21-2)8(19)18(10(17)20)7-3-5(11(12,13)14)6(15)4-16-7/h3-4,8-9,19H,1-2H3
InChIKeyWQZMLKHPIWWATN-UHFFFAOYSA-N
MW417.13 g/mol
LogP1.87
Rot. Bonds2

About 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one

5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one (PubChem CID 118019265) has the molecular formula C11H11F3IN3O3 and a molecular weight of 417.13 g/mol. Its IUPAC name is 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one
PubChem CID118019265
Molecular FormulaC11H11F3IN3O3
Molecular Weight417.13 g/mol
Exact Mass416.98
IUPAC Name5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one
SMILESCOC1C(O)N(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C
InChIInChI=1S/C11H11F3IN3O3/c1-17-9(21-2)8(19)18(10(17)20)7-3-5(11(12,13)14)6(15)4-16-7/h3-4,8-9,19H,1-2H3
InChIKeyWQZMLKHPIWWATN-UHFFFAOYSA-N
XLogP1.87
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one?
The IUPAC name of 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one (CID 118019265) is 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one is COC1C(O)N(c2cc(C(F)(F)F)c(I)cn2)C(=O)N1C.
What is the InChIKey of 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one?
The InChIKey is WQZMLKHPIWWATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3IN3O3/c1-17-9(21-2)8(19)18(10(17)20)7-3-5(11(12,13)14)6(15)4-16-7/h3-4,8-9,19H,1-2H3.
What are the key properties of 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one?
5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one has a molecular weight of 417.13 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 118019265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).