3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

C16H23FN2O2 — CID 114944884

IUPAC3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCOC(C)(C)CN1C(=O)C(C)NC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-5-21-16(3,4)10-19-14(18-11(2)15(19)20)12-7-6-8-13(17)9-12/h6-9,11,14,18H,5,10H2,1-4H3
InChIKeyDZVLBXFJKHFBJN-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.46
Rot. Bonds5

About 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 114944884) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID114944884
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCCOC(C)(C)CN1C(=O)C(C)NC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-5-21-16(3,4)10-19-14(18-11(2)15(19)20)12-7-6-8-13(17)9-12/h6-9,11,14,18H,5,10H2,1-4H3
InChIKeyDZVLBXFJKHFBJN-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 114983383
3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250449
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83254892
3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83268675
3-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-5-methylimidazolidin-4-one
CID 83247059
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83253328
5-ethyl-2-(3-fluorophenyl)-3-(4-methoxybutyl)imidazolidin-4-one
CID 83245843

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (CID 114944884) is 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is CCOC(C)(C)CN1C(=O)C(C)NC1c1cccc(F)c1.
What is the InChIKey of 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is DZVLBXFJKHFBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-5-21-16(3,4)10-19-14(18-11(2)15(19)20)12-7-6-8-13(17)9-12/h6-9,11,14,18H,5,10H2,1-4H3.
What are the key properties of 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 294.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 114944884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).