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

C16H23FN2O — CID 83260658

IUPAC2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
SMILESCC(CN1C(=O)CNC1c1ccccc1F)C(C)(C)C
InChIInChI=1S/C16H23FN2O/c1-11(16(2,3)4)10-19-14(20)9-18-15(19)12-7-5-6-8-13(12)17/h5-8,11,15,18H,9-10H2,1-4H3
InChIKeyGKHSUEAQJZMHCQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.94
Rot. Bonds3

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

2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one (PubChem CID 83260658) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
PubChem CID83260658
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
SMILESCC(CN1C(=O)CNC1c1ccccc1F)C(C)(C)C
InChIInChI=1S/C16H23FN2O/c1-11(16(2,3)4)10-19-14(20)9-18-15(19)12-7-5-6-8-13(12)17/h5-8,11,15,18H,9-10H2,1-4H3
InChIKeyGKHSUEAQJZMHCQ-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260212
2-(2-fluorophenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249203
2-(2-fluorophenyl)-3-(1-methoxybutan-2-yl)imidazolidin-4-one
CID 83259041
2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282336
3-(4-methylpentyl)-2-(2-methylphenyl)imidazolidin-4-one
CID 83254947
3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one
CID 83252005
3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
CID 114983547
3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 114983573
2-[2-(difluoromethoxy)phenyl]-3-ethylimidazolidin-4-one
CID 115282046
3-(2,3-dimethylbutyl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83266956
3-(2,3-dimethylcyclohexyl)-2-(2-fluorophenyl)imidazolidin-4-one
CID 83245229
3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 114983582

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one (CID 83260658) is 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one is CC(CN1C(=O)CNC1c1ccccc1F)C(C)(C)C.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
The InChIKey is GKHSUEAQJZMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(16(2,3)4)10-19-14(20)9-18-15(19)12-7-5-6-8-13(12)17/h5-8,11,15,18H,9-10H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one?
2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one has a molecular weight of 278.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one is sourced from PubChem (CID 83260658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).