3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione

C11H10BrN3O4 — CID 86798983

IUPAC3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccc([N+](=O)[O-])cc2Br)C1=O
InChIInChI=1S/C11H10BrN3O4/c1-13-6-10(16)14(11(13)17)5-7-2-3-8(15(18)19)4-9(7)12/h2-4H,5-6H2,1H3
InChIKeyLMVGVBFXOGZNCC-UHFFFAOYSA-N
MW328.12 g/mol
LogP1.75
Rot. Bonds3

About 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione

3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 86798983) has the molecular formula C11H10BrN3O4 and a molecular weight of 328.12 g/mol. Its IUPAC name is 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID86798983
Molecular FormulaC11H10BrN3O4
Molecular Weight328.12 g/mol
Exact Mass326.99
IUPAC Name3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccc([N+](=O)[O-])cc2Br)C1=O
InChIInChI=1S/C11H10BrN3O4/c1-13-6-10(16)14(11(13)17)5-7-2-3-8(15(18)19)4-9(7)12/h2-4H,5-6H2,1H3
InChIKeyLMVGVBFXOGZNCC-UHFFFAOYSA-N
XLogP1.75
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
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

3-[(2-bromo-4-nitrophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 104952511
1-[(2-bromo-4-nitrophenyl)methyl]piperazine
CID 60795735
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
1-[(2-bromo-4-nitrophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 104926863
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperidine
CID 95910894
3-[(2-bromothiophen-3-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 130767279
1-[(2-bromo-4-nitrophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 60792491
4,5-dibromo-2-[(2-bromo-4-nitrophenyl)methyl]pyridazin-3-one
CID 114386322
(2R)-1-[(2-bromo-4-nitrophenyl)methyl]-2-methylpiperazine
CID 82761275
1-[(2-bromo-4-nitrophenyl)methyl]-4-methylpiperidin-3-ol
CID 104926833
N-[(2-bromo-4-nitrophenyl)methyl]propan-1-amine
CID 60790578
N-[(2-bromo-4-nitrophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 55097567

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione (CID 86798983) is 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2ccc([N+](=O)[O-])cc2Br)C1=O.
What is the InChIKey of 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is LMVGVBFXOGZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4/c1-13-6-10(16)14(11(13)17)5-7-2-3-8(15(18)19)4-9(7)12/h2-4H,5-6H2,1H3.
What are the key properties of 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 328.12 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-nitrophenyl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 86798983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).