1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C21H25F3N2O2 — CID 57495585

IUPAC1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC1(c2cccc(C(F)(F)F)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C21H25F3N2O2/c1-19(15-3-2-4-16(7-15)21(22,23)24)11-26(18(27)25-19)17-13-5-12-6-14(17)10-20(28,8-12)9-13/h2-4,7,12-14,17,28H,5-6,8-11H2,1H3,(H,25,27)
InChIKeyZWLUHSSMCZGKPZ-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.89
Rot. Bonds2

About 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 57495585) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID57495585
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC1(c2cccc(C(F)(F)F)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C21H25F3N2O2/c1-19(15-3-2-4-16(7-15)21(22,23)24)11-26(18(27)25-19)17-13-5-12-6-14(17)10-20(28,8-12)9-13/h2-4,7,12-14,17,28H,5-6,8-11H2,1H3,(H,25,27)
InChIKeyZWLUHSSMCZGKPZ-UHFFFAOYSA-N
XLogP3.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4S)-4-(3-chlorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxylic acid
CID 123256079
4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid
CID 142761153
4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 64666853
1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
CID 57495541
1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one
CID 57495538
2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 117272242
3-ethyl-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 64999935
2-(5-hydroxy-2-adamantyl)-7a-[5-(trifluoromethyl)pyridine-2-carbonyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44599219
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
3-[3-(trifluoromethyl)phenyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955702
(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 30121383
2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one
CID 67303423

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 57495585) is 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CC1(c2cccc(C(F)(F)F)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1.
What is the InChIKey of 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is ZWLUHSSMCZGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-19(15-3-2-4-16(7-15)21(22,23)24)11-26(18(27)25-19)17-13-5-12-6-14(17)10-20(28,8-12)9-13/h2-4,7,12-14,17,28H,5-6,8-11H2,1H3,(H,25,27).
What are the key properties of 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 394.44 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-adamantyl)-4-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 57495585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).