(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione

C21H17F2N3O4 — CID 9060172

IUPAC(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)Cc2cc(C(=O)CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)ccc21
InChIInChI=1S/C21H17F2N3O4/c1-21(14-9-13(22)4-5-15(14)23)19(29)26(20(30)24-21)10-17(27)11-3-6-16-12(7-11)8-18(28)25(16)2/h3-7,9H,8,10H2,1-2H3,(H,24,30)/t21-/m0/s1
InChIKeyHNGLHTDCPUALML-NRFANRHFSA-N
MW413.38 g/mol
LogP2.13
Rot. Bonds4

About (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione

(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 9060172) has the molecular formula C21H17F2N3O4 and a molecular weight of 413.38 g/mol. Its IUPAC name is (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID9060172
Molecular FormulaC21H17F2N3O4
Molecular Weight413.38 g/mol
Exact Mass413.12
IUPAC Name(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)Cc2cc(C(=O)CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)ccc21
InChIInChI=1S/C21H17F2N3O4/c1-21(14-9-13(22)4-5-15(14)23)19(29)26(20(30)24-21)10-17(27)11-3-6-16-12(7-11)8-18(28)25(16)2/h3-7,9H,8,10H2,1-2H3,(H,24,30)/t21-/m0/s1
InChIKeyHNGLHTDCPUALML-NRFANRHFSA-N
XLogP2.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 52.13
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

(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione
CID 43034219
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
5-(2,5-difluorophenyl)-3-[2-(4-hexylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46552369
(5R)-5-(2,5-difluorophenyl)-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8597585
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7801414
6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 24584907
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
(5R)-5-(3,4-difluorophenyl)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 27145082
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 9060172) is (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione is CN1C(=O)Cc2cc(C(=O)CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)ccc21.
What is the InChIKey of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is HNGLHTDCPUALML-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17F2N3O4/c1-21(14-9-13(22)4-5-15(14)23)19(29)26(20(30)24-21)10-17(27)11-3-6-16-12(7-11)8-18(28)25(16)2/h3-7,9H,8,10H2,1-2H3,(H,24,30)/t21-/m0/s1.
What are the key properties of (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione?
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 413.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9060172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).