1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C15H18F3N3O2 — CID 5025738

IUPAC1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C1N(CC2CCCCO2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-4-5-13(19-9-11)21-7-6-20(14(21)22)10-12-3-1-2-8-23-12/h4-5,9,12H,1-3,6-8,10H2
InChIKeyIHRJLOMWMQWGBP-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.91
Rot. Bonds3

About 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 5025738) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID5025738
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C1N(CC2CCCCO2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-4-5-13(19-9-11)21-7-6-20(14(21)22)10-12-3-1-2-8-23-12/h4-5,9,12H,1-3,6-8,10H2
InChIKeyIHRJLOMWMQWGBP-UHFFFAOYSA-N
XLogP2.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 5025738) is 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is O=C1N(CC2CCCCO2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is IHRJLOMWMQWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)11-4-5-13(19-9-11)21-7-6-20(14(21)22)10-12-3-1-2-8-23-12/h4-5,9,12H,1-3,6-8,10H2.
What are the key properties of 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 329.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 5025738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).