5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one

C22H24F3N7O — CID 172873638

IUPAC5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)NCC2C(C)C)n1)c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C22H24F3N7O/c1-13(2)18-10-27-21(33)32(18)19-8-9-26-20(30-19)29-14(3)17-11-31(12-28-17)16-6-4-15(5-7-16)22(23,24)25/h4-9,11-14,18H,10H2,1-3H3,(H,27,33)(H,26,29,30)
InChIKeyLVRDYDOHWFEBQG-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.41
Rot. Bonds6

About 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one

5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 172873638) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
PubChem CID172873638
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC Name5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)NCC2C(C)C)n1)c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C22H24F3N7O/c1-13(2)18-10-27-21(33)32(18)19-8-9-26-20(30-19)29-14(3)17-11-31(12-28-17)16-6-4-15(5-7-16)22(23,24)25/h4-9,11-14,18H,10H2,1-3H3,(H,27,33)(H,26,29,30)
InChIKeyLVRDYDOHWFEBQG-UHFFFAOYSA-N
XLogP4.41
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 137440064
1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 138555054
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3,5-dichlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159382710
4-methyl-6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one;propane
CID 145372302
(4R)-3-[2-[[(1S)-1-[1-[4-(difluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90454349
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 137439990
4-(1,1-difluoropropan-2-yl)-3-[2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414511
(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-methyl-5-propan-2-ylpyrrolidin-2-one
CID 159270671
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-5-propan-2-yl-3-(trideuteriomethyl)imidazolidin-2-one;(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159680699
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490063
2-chloro-N-cyclopentyl-4-[1-[[4-[(5S)-2-oxo-5-propan-2-ylimidazolidin-1-yl]pyrimidin-2-yl]amino]ethyl]benzamide;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1R)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[5-(3-chlorophenyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one;(5S)-4,4-dideuterio-3-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 160500904
(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960652

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
The IUPAC name of 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one (CID 172873638) is 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one is CC(Nc1nccc(N2C(=O)NCC2C(C)C)n1)c1cn(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
The InChIKey is LVRDYDOHWFEBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-13(2)18-10-27-21(33)32(18)19-8-9-26-20(30-19)29-14(3)17-11-31(12-28-17)16-6-4-15(5-7-16)22(23,24)25/h4-9,11-14,18H,10H2,1-3H3,(H,27,33)(H,26,29,30).
What are the key properties of 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one?
5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 459.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 172873638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).