1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one

C16H18F3N3O3 — CID 129480251

IUPAC1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F)N1CCNC1=O
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)12-4-2-1-3-11(12)13-7-10(23)8-21(13)9-14(24)22-6-5-20-15(22)25/h1-4,10,13,23H,5-9H2,(H,20,25)/t10-,13+/m0/s1
InChIKeyZPTAOQGQJCAWTP-GXFFZTMASA-N
MW357.33 g/mol
LogP1.36
Rot. Bonds3

About 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one

1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 129480251) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one
PubChem CID129480251
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F)N1CCNC1=O
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)12-4-2-1-3-11(12)13-7-10(23)8-21(13)9-14(24)22-6-5-20-15(22)25/h1-4,10,13,23H,5-9H2,(H,20,25)/t10-,13+/m0/s1
InChIKeyZPTAOQGQJCAWTP-GXFFZTMASA-N
XLogP1.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetonitrile
CID 129449046
2-hydroxy-1-[(2R,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480071
2-hydroxy-1-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480068
1-[2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]acetyl]imidazolidin-2-one
CID 86791202
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 154743174
N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide
CID 129480153
1-[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 128963974
3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018290
(3R,5S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129481918
3-(furan-3-yl)-1-[(2S,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one
CID 100620009
(3R,5S)-1-[(1-methylpyrazol-4-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 100615756
1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 167844107

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one (CID 129480251) is 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one is O=C(CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F)N1CCNC1=O.
What is the InChIKey of 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is ZPTAOQGQJCAWTP-GXFFZTMASA-N. The full InChI is InChI=1S/C16H18F3N3O3/c17-16(18,19)12-4-2-1-3-11(12)13-7-10(23)8-21(13)9-14(24)22-6-5-20-15(22)25/h1-4,10,13,23H,5-9H2,(H,20,25)/t10-,13+/m0/s1.
What are the key properties of 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 357.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 129480251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).