1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione

C13H15N3O4 — CID 63064359

IUPAC1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C13H15N3O4/c1-9(2)7-14-8-12(17)15(13(14)18)10-3-5-11(6-4-10)16(19)20/h3-6,9H,7-8H2,1-2H3
InChIKeyCPCZFLJSEJPZML-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione

1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 63064359) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID63064359
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C13H15N3O4/c1-9(2)7-14-8-12(17)15(13(14)18)10-3-5-11(6-4-10)16(19)20/h3-6,9H,7-8H2,1-2H3
InChIKeyCPCZFLJSEJPZML-UHFFFAOYSA-N
XLogP2.02
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.02
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-(4-methylphenyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
CID 63064185
3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 79264850
1-butan-2-yl-3-(4-nitrophenyl)imidazolidine-2,4-dione
CID 60837138
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403
4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one
CID 10067588
1-(2-methylpropyl)-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-2-one
CID 133498622
1-(2-methylpropyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazolidine-2,4-dione
CID 139019770
5,5-dimethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 115429011
1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 66605218
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818
(3R)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065779
(3S)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065781

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione (CID 63064359) is 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione is CC(C)CN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is CPCZFLJSEJPZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-9(2)7-14-8-12(17)15(13(14)18)10-3-5-11(6-4-10)16(19)20/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione?
1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 63064359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).