1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one

C22H25N7O — CID 142748940

IUPAC1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one
SMILESC[C@H](Nc1nccc(CN2CCNC2=O)n1)c1cn(-c2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C22H25N7O/c1-15(26-21-23-9-8-18(27-21)12-28-11-10-24-22(28)30)20-13-29(14-25-20)19-6-4-17(5-7-19)16-2-3-16/h4-9,13-16H,2-3,10-12H2,1H3,(H,24,30)(H,23,26,27)/t15-/m0/s1
InChIKeyQSURVDVGLGYMSG-HNNXBMFYSA-N
MW403.49 g/mol
LogP3.24
Rot. Bonds7

About 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one

1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one (PubChem CID 142748940) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one
PubChem CID142748940
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one
SMILESC[C@H](Nc1nccc(CN2CCNC2=O)n1)c1cn(-c2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C22H25N7O/c1-15(26-21-23-9-8-18(27-21)12-28-11-10-24-22(28)30)20-13-29(14-25-20)19-6-4-17(5-7-19)16-2-3-16/h4-9,13-16H,2-3,10-12H2,1H3,(H,24,30)(H,23,26,27)/t15-/m0/s1
InChIKeyQSURVDVGLGYMSG-HNNXBMFYSA-N
XLogP3.24
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.24
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
(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
5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
CID 172873638
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
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-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 137439990
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
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
1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane
CID 145372237
(4R)-3-[2-[[(1S)-1-[1-(3,4-difluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 90417093
3-[6-chloro-2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 130384663

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one (CID 142748940) is 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one is C[C@H](Nc1nccc(CN2CCNC2=O)n1)c1cn(-c2ccc(C3CC3)cc2)cn1.
What is the InChIKey of 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one?
The InChIKey is QSURVDVGLGYMSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15(26-21-23-9-8-18(27-21)12-28-11-10-24-22(28)30)20-13-29(14-25-20)19-6-4-17(5-7-19)16-2-3-16/h4-9,13-16H,2-3,10-12H2,1H3,(H,24,30)(H,23,26,27)/t15-/m0/s1.
What are the key properties of 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one?
1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one has a molecular weight of 403.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 142748940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).