3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one

C14H19FN2O — CID 83256551

IUPAC3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
SMILESCC(C)(C)CN1C(=O)CNC1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-14(2,3)9-17-12(18)8-16-13(17)10-4-6-11(15)7-5-10/h4-7,13,16H,8-9H2,1-3H3
InChIKeySRSYTSFTBYEDED-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.30
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one

3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one (PubChem CID 83256551) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
PubChem CID83256551
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
SMILESCC(C)(C)CN1C(=O)CNC1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-14(2,3)9-17-12(18)8-16-13(17)10-4-6-11(15)7-5-10/h4-7,13,16H,8-9H2,1-3H3
InChIKeySRSYTSFTBYEDED-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one (CID 83256551) is 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one is CC(C)(C)CN1C(=O)CNC1c1ccc(F)cc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one?
The InChIKey is SRSYTSFTBYEDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,3)9-17-12(18)8-16-13(17)10-4-6-11(15)7-5-10/h4-7,13,16H,8-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one?
3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83256551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).