(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C21H19F2N3O3 — CID 7561957

IUPAC(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C21H19F2N3O3/c1-12-9-13-5-3-4-6-17(13)26(12)18(27)11-25-19(28)21(2,24-20(25)29)15-10-14(22)7-8-16(15)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,29)/t12-,21+/m0/s1
InChIKeyRRIDYLYSDIQCPP-LAJNKCICSA-N
MW399.40 g/mol
LogP2.71
Rot. Bonds3

About (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 7561957) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID7561957
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C21H19F2N3O3/c1-12-9-13-5-3-4-6-17(13)26(12)18(27)11-25-19(28)21(2,24-20(25)29)15-10-14(22)7-8-16(15)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,29)/t12-,21+/m0/s1
InChIKeyRRIDYLYSDIQCPP-LAJNKCICSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 27140977
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9453120
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9394991
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 41124309
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4790412
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
3'-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4878925
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
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 51191064
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 7561957) is (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O.
What is the InChIKey of (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is RRIDYLYSDIQCPP-LAJNKCICSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-12-9-13-5-3-4-6-17(13)26(12)18(27)11-25-19(28)21(2,24-20(25)29)15-10-14(22)7-8-16(15)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,29)/t12-,21+/m0/s1.
What are the key properties of (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 399.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7561957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).