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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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).