3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

C10H9FN2O2 — CID 123693463

IUPAC3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1Cc1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c11-8-3-1-7(2-4-8)6-13-9(14)5-12-10(13)15/h1-5,14H,6H2,(H,12,15)
InChIKeyXILLJJBUUFZDNG-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.07
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 123693463) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID123693463
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1Cc1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c11-8-3-1-7(2-4-8)6-13-9(14)5-12-10(13)15/h1-5,14H,6H2,(H,12,15)
InChIKeyXILLJJBUUFZDNG-UHFFFAOYSA-N
XLogP1.07
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (CID 123693463) is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is O=c1[nH]cc(O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is XILLJJBUUFZDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-8-3-1-7(2-4-8)6-13-9(14)5-12-10(13)15/h1-5,14H,6H2,(H,12,15).
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 208.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 123693463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).