1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one

C15H18F3N3O2 — CID 8595959

IUPAC1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3O2/c1-10(13(22)21-8-7-19-14(21)23)20(2)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,19,23)/t10-/m0/s1
InChIKeyUSRGIWMOOKWPDM-JTQLQIEISA-N
MW329.32 g/mol
LogP2.08
Rot. Bonds4

About 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one (PubChem CID 8595959) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
PubChem CID8595959
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@@H](C(=O)N1CCNC1=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N3O2/c1-10(13(22)21-8-7-19-14(21)23)20(2)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,19,23)/t10-/m0/s1
InChIKeyUSRGIWMOOKWPDM-JTQLQIEISA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8789162
1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8694902
1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8971871
2-[methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8642528
1-[(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8993801
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 17454282
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51171449
(3S)-3-benzyl-N-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
CID 154449926

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one (CID 8595959) is 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one is C[C@@H](C(=O)N1CCNC1=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one?
The InChIKey is USRGIWMOOKWPDM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-10(13(22)21-8-7-19-14(21)23)20(2)9-11-3-5-12(6-4-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,19,23)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one has a molecular weight of 329.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8595959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).