1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one

C22H27F3N2O2 — CID 24952609

IUPAC1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
SMILESC[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(C2C3CC4CC2CC(O)(C4)C3)C1=O
InChIInChI=1S/C22H27F3N2O2/c1-13(15-3-2-4-18(9-15)22(23,24)25)26-5-6-27(20(26)28)19-16-7-14-8-17(19)12-21(29,10-14)11-16/h2-4,9,13-14,16-17,19,29H,5-8,10-12H2,1H3/t13-,14?,16?,17?,19?,21?/m0/s1
InChIKeyNBKUPLYRHAUQQF-CPQINVFFSA-N
MW408.46 g/mol
LogP4.44
Rot. Bonds3

About 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one

1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one (PubChem CID 24952609) has the molecular formula C22H27F3N2O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
PubChem CID24952609
Molecular FormulaC22H27F3N2O2
Molecular Weight408.46 g/mol
Exact Mass408.20
IUPAC Name1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
SMILESC[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(C2C3CC4CC2CC(O)(C4)C3)C1=O
InChIInChI=1S/C22H27F3N2O2/c1-13(15-3-2-4-18(9-15)22(23,24)25)26-5-6-27(20(26)28)19-16-7-14-8-17(19)12-21(29,10-14)11-16/h2-4,9,13-14,16-17,19,29H,5-8,10-12H2,1H3/t13-,14?,16?,17?,19?,21?/m0/s1
InChIKeyNBKUPLYRHAUQQF-CPQINVFFSA-N
XLogP4.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7a-(2-Fluorophenyl)-2-(5-hydroxy-2-adamantyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44600193
7a-(4-Fluorophenyl)-2-(5-hydroxy-2-adamantyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44600352
(7aS)-7a-(4-fluorophenyl)-2-(5-hydroxy-2-adamantyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44600355
(7aR)-7a-(4-fluorophenyl)-2-(5-hydroxy-2-adamantyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44600356
7a-(2,4-Difluorophenyl)-2-(5-hydroxy-2-adamantyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44600510
4-(4-Fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495564
4-(3,4-Difluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495576
4-(3-Fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495578
4-(2,4-Difluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495580
4-(3-Chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495581
1-(5-Hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57495585
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
CID 57495586

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one (CID 24952609) is 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one is C[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(C2C3CC4CC2CC(O)(C4)C3)C1=O.
What is the InChIKey of 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The InChIKey is NBKUPLYRHAUQQF-CPQINVFFSA-N. The full InChI is InChI=1S/C22H27F3N2O2/c1-13(15-3-2-4-18(9-15)22(23,24)25)26-5-6-27(20(26)28)19-16-7-14-8-17(19)12-21(29,10-14)11-16/h2-4,9,13-14,16-17,19,29H,5-8,10-12H2,1H3/t13-,14?,16?,17?,19?,21?/m0/s1.
What are the key properties of 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one has a molecular weight of 408.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-adamantyl)-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 24952609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).