1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one

C12H15FN2O — CID 129202932

IUPAC1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H15FN2O/c1-9(2)14-7-8-15(12(14)16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyMBTNLZYZQZMBRY-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one

1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one (PubChem CID 129202932) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
PubChem CID129202932
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H15FN2O/c1-9(2)14-7-8-15(12(14)16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyMBTNLZYZQZMBRY-UHFFFAOYSA-N
XLogP2.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one (CID 129202932) is 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one?
The InChIKey is MBTNLZYZQZMBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9(2)14-7-8-15(12(14)16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one?
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 129202932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).