(5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione

C26H21F2N3O4 — CID 41236358

IUPAC(5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C26H21F2N3O4/c1-26(17-11-12-18(27)19(28)13-17)24(33)30(25(34)29-26)14-23(32)31-20-9-5-6-10-22(20)35-15-21(31)16-7-3-2-4-8-16/h2-13,21H,14-15H2,1H3,(H,29,34)/t21-,26-/m0/s1
InChIKeyIXOGNNJMMWMOMF-LVXARBLLSA-N
MW477.47 g/mol
LogP3.90
Rot. Bonds4

About (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione

(5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 41236358) has the molecular formula C26H21F2N3O4 and a molecular weight of 477.47 g/mol. Its IUPAC name is (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
PubChem CID41236358
Molecular FormulaC26H21F2N3O4
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC Name(5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C26H21F2N3O4/c1-26(17-11-12-18(27)19(28)13-17)24(33)30(25(34)29-26)14-23(32)31-20-9-5-6-10-22(20)35-15-21(31)16-7-3-2-4-8-16/h2-13,21H,14-15H2,1H3,(H,29,34)/t21-,26-/m0/s1
InChIKeyIXOGNNJMMWMOMF-LVXARBLLSA-N
XLogP3.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
CID 25363191
5-(3,4-difluorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 55442648
2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
CID 41075308
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7484126
N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55524395
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 55356683
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 27140977
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 25437321
2-[(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93239430

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione (CID 41236358) is (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is IXOGNNJMMWMOMF-LVXARBLLSA-N. The full InChI is InChI=1S/C26H21F2N3O4/c1-26(17-11-12-18(27)19(28)13-17)24(33)30(25(34)29-26)14-23(32)31-20-9-5-6-10-22(20)35-15-21(31)16-7-3-2-4-8-16/h2-13,21H,14-15H2,1H3,(H,29,34)/t21-,26-/m0/s1.
What are the key properties of (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
(5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 477.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41236358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).