1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane

C16H26FN3O2 — CID 144825969

IUPAC1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
SMILESCC1C(O)N(c2cc(C(C)(C)F)ccn2)C(=O)N1C.CCC
InChIInChI=1S/C13H18FN3O2.C3H8/c1-8-11(18)17(12(19)16(8)4)10-7-9(5-6-15-10)13(2,3)14;1-3-2/h5-8,11,18H,1-4H3;3H2,1-2H3
InChIKeyLQYQMUOWLBWQPI-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.28
Rot. Bonds2

About 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane

1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane (PubChem CID 144825969) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane.

Molecular Properties

Compound Name1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
PubChem CID144825969
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
SMILESCC1C(O)N(c2cc(C(C)(C)F)ccn2)C(=O)N1C.CCC
InChIInChI=1S/C13H18FN3O2.C3H8/c1-8-11(18)17(12(19)16(8)4)10-7-9(5-6-15-10)13(2,3)14;1-3-2/h5-8,11,18H,1-4H3;3H2,1-2H3
InChIKeyLQYQMUOWLBWQPI-UHFFFAOYSA-N
XLogP3.28
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 135130164
4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019251
4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019274
4-hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019269
(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
CID 134203858
[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate
CID 166955525
4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 20560734
(4R)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-4-[(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyimidazolidin-2-one
CID 155073765
1-[6-chloro-5-(2-fluoropropan-2-yl)pyridazin-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;1-[5-(2-fluoropropan-2-yl)-6-phenylpyridazin-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;phenylboronic acid
CID 159368146
[4-(2-fluoropropan-2-yl)-2-pyridinyl]methanamine
CID 84765426
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;1,4-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methanol;1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 161035746
[(4R,5R)-5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 138554329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane?
The IUPAC name of 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane (CID 144825969) is 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane.
What is the SMILES notation for 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane?
The canonical SMILES for 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane is CC1C(O)N(c2cc(C(C)(C)F)ccn2)C(=O)N1C.CCC.
What is the InChIKey of 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane?
The InChIKey is LQYQMUOWLBWQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2.C3H8/c1-8-11(18)17(12(19)16(8)4)10-7-9(5-6-15-10)13(2,3)14;1-3-2/h5-8,11,18H,1-4H3;3H2,1-2H3.
What are the key properties of 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane?
1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane has a molecular weight of 311.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane is sourced from PubChem (CID 144825969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).