3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one

C15H21FN2O — CID 114983582

IUPAC3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one
SMILESCC(N1C(=O)CNC1c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H21FN2O/c1-10(15(2,3)4)18-13(19)9-17-14(18)11-5-7-12(16)8-6-11/h5-8,10,14,17H,9H2,1-4H3
InChIKeyVNFKMJAYXYYRKZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.69
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one (PubChem CID 114983582) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one
PubChem CID114983582
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one
SMILESCC(N1C(=O)CNC1c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H21FN2O/c1-10(15(2,3)4)18-13(19)9-17-14(18)11-5-7-12(16)8-6-11/h5-8,10,14,17H,9H2,1-4H3
InChIKeyVNFKMJAYXYYRKZ-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylbutan-2-yl)-2-(4-nitrophenyl)imidazolidin-4-one
CID 114983567
2-(4-fluorophenyl)-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246051
2-(4-fluorophenyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244287
3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 113458147
3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 114983586
3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
CID 104830759
3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 83256551
2-(4-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83263819
2-(2,4-difluorophenyl)-3-(3-methylbutan-2-yl)imidazolidin-4-one
CID 83250767
3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83246176
2-(4-chlorophenyl)-3-(1-cyclopropylethyl)imidazolidin-4-one
CID 83244273
2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260212

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one (CID 114983582) is 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one is CC(N1C(=O)CNC1c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one?
The InChIKey is VNFKMJAYXYYRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(15(2,3)4)18-13(19)9-17-14(18)11-5-7-12(16)8-6-11/h5-8,10,14,17H,9H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one has a molecular weight of 264.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 114983582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).