1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one

C17H15FN4O — CID 118937546

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one
SMILESCC1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1
InChIInChI=1S/C17H15FN4O/c1-11-10-21(17(23)20-11)14-7-4-8-15-12(14)9-19-22(15)16-6-3-2-5-13(16)18/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyLTPACIHMAQVBQT-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.08
Rot. Bonds2

About 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one (PubChem CID 118937546) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one
PubChem CID118937546
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one
SMILESCC1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1
InChIInChI=1S/C17H15FN4O/c1-11-10-21(17(23)20-11)14-7-4-8-15-12(14)9-19-22(15)16-6-3-2-5-13(16)18/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyLTPACIHMAQVBQT-UHFFFAOYSA-N
XLogP3.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one (CID 118937546) is 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one is CC1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one?
The InChIKey is LTPACIHMAQVBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-10-21(17(23)20-11)14-7-4-8-15-12(14)9-19-22(15)16-6-3-2-5-13(16)18/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one has a molecular weight of 310.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 118937546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).