3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one

C27H24FN5O2 — CID 90281409

IUPAC3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one
SMILESCc1c(-c2cn(C)c(=O)c(Nc3ccccc3)n2)cccc1N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C27H24FN5O2/c1-18-22(23-17-31(2)26(34)25(30-23)29-20-7-4-3-5-8-20)9-6-10-24(18)33-16-15-32(27(33)35)21-13-11-19(28)12-14-21/h3-14,17H,15-16H2,1-2H3,(H,29,30)
InChIKeyGBQSZPBSPIRKED-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.09
Rot. Bonds5

About 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one

3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one (PubChem CID 90281409) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one
PubChem CID90281409
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one
SMILESCc1c(-c2cn(C)c(=O)c(Nc3ccccc3)n2)cccc1N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C27H24FN5O2/c1-18-22(23-17-31(2)26(34)25(30-23)29-20-7-4-3-5-8-20)9-6-10-24(18)33-16-15-32(27(33)35)21-13-11-19(28)12-14-21/h3-14,17H,15-16H2,1-2H3,(H,29,30)
InChIKeyGBQSZPBSPIRKED-UHFFFAOYSA-N
XLogP5.09
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one?
The IUPAC name of 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one (CID 90281409) is 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one is Cc1c(-c2cn(C)c(=O)c(Nc3ccccc3)n2)cccc1N1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one?
The InChIKey is GBQSZPBSPIRKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c1-18-22(23-17-31(2)26(34)25(30-23)29-20-7-4-3-5-8-20)9-6-10-24(18)33-16-15-32(27(33)35)21-13-11-19(28)12-14-21/h3-14,17H,15-16H2,1-2H3,(H,29,30).
What are the key properties of 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one?
3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one has a molecular weight of 469.52 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 90281409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).