5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one

C15H20F2N2O — CID 83270970

IUPAC5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CC(F)F)C1=O
InChIInChI=1S/C15H20F2N2O/c1-2-3-9-12-15(20)19(10-13(16)17)14(18-12)11-7-5-4-6-8-11/h4-8,12-14,18H,2-3,9-10H2,1H3
InChIKeyRXZCWZYZSUVBKA-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.94
Rot. Bonds6

About 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one

5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one (PubChem CID 83270970) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one
PubChem CID83270970
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CC(F)F)C1=O
InChIInChI=1S/C15H20F2N2O/c1-2-3-9-12-15(20)19(10-13(16)17)14(18-12)11-7-5-4-6-8-11/h4-8,12-14,18H,2-3,9-10H2,1H3
InChIKeyRXZCWZYZSUVBKA-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83263712
3-(3-methoxy-2-methylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83252910
2-(3-chlorophenyl)-3-(2,2-difluoroethyl)-5-ethylimidazolidin-4-one
CID 83270330
5-butyl-3-(1-methoxypropan-2-yl)-2-phenylimidazolidin-4-one
CID 83237900
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83239253
3-ethyl-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83239444
3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83237076
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274
5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83247509

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one (CID 83270970) is 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one is CCCCC1NC(c2ccccc2)N(CC(F)F)C1=O.
What is the InChIKey of 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one?
The InChIKey is RXZCWZYZSUVBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-3-9-12-15(20)19(10-13(16)17)14(18-12)11-7-5-4-6-8-11/h4-8,12-14,18H,2-3,9-10H2,1H3.
What are the key properties of 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one?
5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one has a molecular weight of 282.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83270970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).