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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).