(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione

C15H17F3N2O4 — CID 97340103

IUPAC(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(CCc2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C15H17F3N2O4/c1-14(9-23-2)12(21)20(13(22)19-14)7-6-10-4-3-5-11(8-10)24-15(16,17)18/h3-5,8H,6-7,9H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyHMZSERHVBBZMLX-CQSZACIVSA-N
MW346.31 g/mol
LogP2.08
Rot. Bonds6

About (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione

(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione (PubChem CID 97340103) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
PubChem CID97340103
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(CCc2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C15H17F3N2O4/c1-14(9-23-2)12(21)20(13(22)19-14)7-6-10-4-3-5-11(8-10)24-15(16,17)18/h3-5,8H,6-7,9H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyHMZSERHVBBZMLX-CQSZACIVSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
CID 75448186
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole
CID 123966991
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 55923174
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione (CID 97340103) is (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione is COC[C@@]1(C)NC(=O)N(CCc2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is HMZSERHVBBZMLX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c1-14(9-23-2)12(21)20(13(22)19-14)7-6-10-4-3-5-11(8-10)24-15(16,17)18/h3-5,8H,6-7,9H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione?
(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 346.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97340103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).