5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one

C16H13F2N3O2 — CID 140547112

IUPAC5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(F)c2)n1CCO
InChIInChI=1S/C16H13F2N3O2/c17-12-3-1-10(2-4-12)14-15(11-5-6-19-13(18)9-11)21(7-8-22)16(23)20-14/h1-6,9,22H,7-8H2,(H,20,23)
InChIKeyDFWSHFINWPHOKU-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.18
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one

5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one (PubChem CID 140547112) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one
PubChem CID140547112
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(F)c2)n1CCO
InChIInChI=1S/C16H13F2N3O2/c17-12-3-1-10(2-4-12)14-15(11-5-6-19-13(18)9-11)21(7-8-22)16(23)20-14/h1-6,9,22H,7-8H2,(H,20,23)
InChIKeyDFWSHFINWPHOKU-UHFFFAOYSA-N
XLogP2.18
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one
CID 11326260
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione
CID 121206672
N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 11373031
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 157216707
1-(2,2-dimethylpropyl)-5-(2-fluoro-4-pyridinyl)-3-methylbenzimidazol-2-one
CID 56655664
[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]methanol
CID 71710905
3-ethyl-6-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 122239134
4-(2-fluoro-4-pyridinyl)benzoic acid
CID 155289889
3-benzyl-5-(2-methyl-4-pyridinyl)-4-phenyl-1H-imidazol-2-one;phosphoryl trichloride
CID 91154496
6-[4-(4-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4,5-dihydropyridazin-3-one
CID 20569990

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one (CID 140547112) is 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one is O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(F)c2)n1CCO.
What is the InChIKey of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one?
The InChIKey is DFWSHFINWPHOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c17-12-3-1-10(2-4-12)14-15(11-5-6-19-13(18)9-11)21(7-8-22)16(23)20-14/h1-6,9,22H,7-8H2,(H,20,23).
What are the key properties of 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one?
5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one has a molecular weight of 317.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one is sourced from PubChem (CID 140547112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).