1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

C17H16FN3O2 — CID 68784575

IUPAC1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCC(=O)c1cc(N2CCN(c3cnccc3C)C2=O)ccc1F
InChIInChI=1S/C17H16FN3O2/c1-11-5-6-19-10-16(11)21-8-7-20(17(21)23)13-3-4-15(18)14(9-13)12(2)22/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDTVARKQDWVXWDK-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.18
Rot. Bonds3

About 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 68784575) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
PubChem CID68784575
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCC(=O)c1cc(N2CCN(c3cnccc3C)C2=O)ccc1F
InChIInChI=1S/C17H16FN3O2/c1-11-5-6-19-10-16(11)21-8-7-20(17(21)23)13-3-4-15(18)14(9-13)12(2)22/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDTVARKQDWVXWDK-UHFFFAOYSA-N
XLogP3.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (CID 68784575) is 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is CC(=O)c1cc(N2CCN(c3cnccc3C)C2=O)ccc1F.
What is the InChIKey of 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is DTVARKQDWVXWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-5-6-19-10-16(11)21-8-7-20(17(21)23)13-3-4-15(18)14(9-13)12(2)22/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 313.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-4-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 68784575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).