(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C19H19F3N2O4S — CID 51963939

IUPAC(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[C@H](O)COCc2cccs2)C1=O
InChIInChI=1S/C19H19F3N2O4S/c1-18(12-4-6-13(7-5-12)19(20,21)22)16(26)24(17(27)23-18)9-14(25)10-28-11-15-3-2-8-29-15/h2-8,14,25H,9-11H2,1H3,(H,23,27)/t14-,18-/m0/s1
InChIKeyIRPSRRVDGQRKRW-KSSFIOAISA-N
MW428.43 g/mol
LogP3.11
Rot. Bonds7

About (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 51963939) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID51963939
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[C@H](O)COCc2cccs2)C1=O
InChIInChI=1S/C19H19F3N2O4S/c1-18(12-4-6-13(7-5-12)19(20,21)22)16(26)24(17(27)23-18)9-14(25)10-28-11-15-3-2-8-29-15/h2-8,14,25H,9-11H2,1H3,(H,23,27)/t14-,18-/m0/s1
InChIKeyIRPSRRVDGQRKRW-KSSFIOAISA-N
XLogP3.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione
CID 55410125
(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 31571010
5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51222955
5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51250426
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796667
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94817997
3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 18273144
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55384387
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46671942

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 51963939) is (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(C[C@H](O)COCc2cccs2)C1=O.
What is the InChIKey of (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is IRPSRRVDGQRKRW-KSSFIOAISA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-18(12-4-6-13(7-5-12)19(20,21)22)16(26)24(17(27)23-18)9-14(25)10-28-11-15-3-2-8-29-15/h2-8,14,25H,9-11H2,1H3,(H,23,27)/t14-,18-/m0/s1.
What are the key properties of (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 428.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51963939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).