4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one

C12H14F3N3O — CID 86705189

IUPAC4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCC(C)C1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C12H14F3N3O/c1-7(2)9-6-18(11(19)17-9)8-3-4-10(16-5-8)12(13,14)15/h3-5,7,9H,6H2,1-2H3,(H,17,19)
InChIKeyUJJHUZLGVHOAKX-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.65
Rot. Bonds2

About 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one

4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (PubChem CID 86705189) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
PubChem CID86705189
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCC(C)C1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C12H14F3N3O/c1-7(2)9-6-18(11(19)17-9)8-3-4-10(16-5-8)12(13,14)15/h3-5,7,9H,6H2,1-2H3,(H,17,19)
InChIKeyUJJHUZLGVHOAKX-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 140625322
3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 80505348
1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one
CID 82817749
3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
CID 82795304
5-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 170628845
3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
CID 82817505
5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 82794702
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302542
3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 159192742
(4S)-3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 157262734
[(3S)-3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]-[[(1S,4R)-2-oxo-7-propan-2-yl-1-bicyclo[2.2.1]heptanyl]methyl]sulfanium
CID 143499215
3-(2-methylpropyl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,4-diazepane
CID 82794456

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (CID 86705189) is 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is CC(C)C1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1.
What is the InChIKey of 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The InChIKey is UJJHUZLGVHOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-7(2)9-6-18(11(19)17-9)8-3-4-10(16-5-8)12(13,14)15/h3-5,7,9H,6H2,1-2H3,(H,17,19).
What are the key properties of 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one has a molecular weight of 273.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 86705189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).