(5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

C20H15F4N3O7 — CID 41170247

IUPAC(5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(OC(F)F)cc2OC(F)F)C1=O
InChIInChI=1S/C20H15F4N3O7/c1-20(10-2-4-11(5-3-10)27(31)32)16(29)26(19(30)25-20)9-14(28)13-7-6-12(33-17(21)22)8-15(13)34-18(23)24/h2-8,17-18H,9H2,1H3,(H,25,30)/t20-/m0/s1
InChIKeyBRNVICMBHMRLGL-FQEVSTJZSA-N
MW485.35 g/mol
LogP3.45
Rot. Bonds9

About (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

(5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 41170247) has the molecular formula C20H15F4N3O7 and a molecular weight of 485.35 g/mol. Its IUPAC name is (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID41170247
Molecular FormulaC20H15F4N3O7
Molecular Weight485.35 g/mol
Exact Mass485.08
IUPAC Name(5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(OC(F)F)cc2OC(F)F)C1=O
InChIInChI=1S/C20H15F4N3O7/c1-20(10-2-4-11(5-3-10)27(31)32)16(29)26(19(30)25-20)9-14(28)13-7-6-12(33-17(21)22)8-15(13)34-18(23)24/h2-8,17-18H,9H2,1H3,(H,25,30)/t20-/m0/s1
InChIKeyBRNVICMBHMRLGL-FQEVSTJZSA-N
XLogP3.45
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 18074722
(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180183
(5S)-3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595850
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 2409253
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584855
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 40895044
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 2703300
(5R)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180197
N-[(2R)-butan-2-yl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703220
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 2703261
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2108493

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (CID 41170247) is (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(OC(F)F)cc2OC(F)F)C1=O.
What is the InChIKey of (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is BRNVICMBHMRLGL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15F4N3O7/c1-20(10-2-4-11(5-3-10)27(31)32)16(29)26(19(30)25-20)9-14(28)13-7-6-12(33-17(21)22)8-15(13)34-18(23)24/h2-8,17-18H,9H2,1H3,(H,25,30)/t20-/m0/s1.
What are the key properties of (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
(5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 485.35 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 41170247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).