ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

C12H15N3O4 — CID 144913262

IUPACethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC.CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O
InChIInChI=1S/C10H9N3O4.C2H6/c1-10(8(14)11-9(15)12-10)6-2-4-7(5-3-6)13(16)17;1-2/h2-5H,1H3,(H2,11,12,14,15);1-2H3
InChIKeyOFBMOXVDGDUZIT-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.68
Rot. Bonds2

About ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione

ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 144913262) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID144913262
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC.CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O
InChIInChI=1S/C10H9N3O4.C2H6/c1-10(8(14)11-9(15)12-10)6-2-4-7(5-3-6)13(16)17;1-2/h2-5H,1H3,(H2,11,12,14,15);1-2H3
InChIKeyOFBMOXVDGDUZIT-UHFFFAOYSA-N
XLogP1.68
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 2387110
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-4-nitrobenzenesulfonamide
CID 55735673
5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 4962033
5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione
CID 82130700
3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one
CID 118347838
2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid
CID 124523212
3-[(3,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 42964351
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
5-methyl-3-[2-(2-methylpropylsulfanyl)ethyl]-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 75394000
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494418

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione (CID 144913262) is ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is CC.CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O.
What is the InChIKey of ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is OFBMOXVDGDUZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4.C2H6/c1-10(8(14)11-9(15)12-10)6-2-4-7(5-3-6)13(16)17;1-2/h2-5H,1H3,(H2,11,12,14,15);1-2H3.
What are the key properties of ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione?
ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 265.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 144913262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).