1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one

C16H14F3N3O — CID 150091015

IUPAC1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2ccc(CC(F)(F)F)cc2)CCN1c1cccnc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-12-3-5-13(6-4-12)21-8-9-22(15(21)23)14-2-1-7-20-11-14/h1-7,11H,8-10H2
InChIKeyDTFPMOUBXMLQSS-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.63
Rot. Bonds3

About 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one

1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one (PubChem CID 150091015) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one
PubChem CID150091015
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2ccc(CC(F)(F)F)cc2)CCN1c1cccnc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-12-3-5-13(6-4-12)21-8-9-22(15(21)23)14-2-1-7-20-11-14/h1-7,11H,8-10H2
InChIKeyDTFPMOUBXMLQSS-UHFFFAOYSA-N
XLogP3.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]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

Related Compounds

1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylimidazolidin-2-one
CID 163559526
4-[4-(2-oxo-3-pyridin-3-ylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
CID 139531359
1-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-3-pyridin-3-ylimidazolidin-2-one
CID 59636222
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593
(3aS,6aR)-2-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124802300
1-(2,3-dihydro-1H-inden-5-yl)-3-(pyridin-3-ylmethyl)imidazolidin-2-one
CID 4654076
2-bromo-6-pyridin-3-yl-7H-imidazo[1,2-c]imidazol-5-one
CID 171801635
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472972
1-(4-methyl-3-pyridinyl)-3-(4-phenylphenyl)imidazolidin-2-one
CID 59636241
N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023408

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one (CID 150091015) is 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one is O=C1N(c2ccc(CC(F)(F)F)cc2)CCN1c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
The InChIKey is DTFPMOUBXMLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)10-12-3-5-13(6-4-12)21-8-9-22(15(21)23)14-2-1-7-20-11-14/h1-7,11H,8-10H2.
What are the key properties of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one has a molecular weight of 321.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 150091015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).