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

C12H11F6N3O3 — CID 118019225

IUPAC4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1OCC(F)(F)F
InChIInChI=1S/C12H11F6N3O3/c1-20-9(24-5-11(13,14)15)8(22)21(10(20)23)7-4-6(2-3-19-7)12(16,17)18/h2-4,8-9,22H,5H2,1H3
InChIKeySVJSMBBPJCLVPH-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.20
Rot. Bonds3

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

4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019225) has the molecular formula C12H11F6N3O3 and a molecular weight of 359.23 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019225
Molecular FormulaC12H11F6N3O3
Molecular Weight359.23 g/mol
Exact Mass359.07
IUPAC Name4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1OCC(F)(F)F
InChIInChI=1S/C12H11F6N3O3/c1-20-9(24-5-11(13,14)15)8(22)21(10(20)23)7-4-6(2-3-19-7)12(16,17)18/h2-4,8-9,22H,5H2,1H3
InChIKeySVJSMBBPJCLVPH-UHFFFAOYSA-N
XLogP2.20
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3245466
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CID 163735
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CID 3243236
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CID 2991563
CID 2991563
CID 70787399
CID 70787399
CID 11334818
CID 11334818
CID 3526138
CID 3526138
CID 3564727
CID 3564727
CID 3956906
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CID 5025738
CID 5025738
CID 5174411
CID 5174411

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019225) is 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1OCC(F)(F)F.
What is the InChIKey of 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is SVJSMBBPJCLVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N3O3/c1-20-9(24-5-11(13,14)15)8(22)21(10(20)23)7-4-6(2-3-19-7)12(16,17)18/h2-4,8-9,22H,5H2,1H3.
What are the key properties of 4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 359.23 g/mol, XLogP of 2.20, 3 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-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).