3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

C16H24FN3O — CID 83253328

IUPAC3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C16H24FN3O/c1-11(8-9-19(3)4)20-15(18-12(2)16(20)21)13-6-5-7-14(17)10-13/h5-7,10-12,15,18H,8-9H2,1-4H3
InChIKeyAUJARFXQCQGLHQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.98
Rot. Bonds5

About 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83253328) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83253328
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C16H24FN3O/c1-11(8-9-19(3)4)20-15(18-12(2)16(20)21)13-6-5-7-14(17)10-13/h5-7,10-12,15,18H,8-9H2,1-4H3
InChIKeyAUJARFXQCQGLHQ-UHFFFAOYSA-N
XLogP1.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250449
2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one
CID 83258678
5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83243440
2-(3-fluorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
CID 83245919
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
5-ethyl-2-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)imidazolidin-4-one
CID 83240074
3-cyclobutyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83254892
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
3-[2-(dimethylamino)ethyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83250661
3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 114944884
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
2-(2,4-difluorophenyl)-3-(1-methoxypropan-2-yl)-5-methylimidazolidin-4-one
CID 83239897

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (CID 83253328) is 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is CC1NC(c2cccc(F)c2)N(C(C)CCN(C)C)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is AUJARFXQCQGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11(8-9-19(3)4)20-15(18-12(2)16(20)21)13-6-5-7-14(17)10-13/h5-7,10-12,15,18H,8-9H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 293.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83253328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).