5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione

C17H15N3O4 — CID 20675335

IUPAC5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)C(C)N(c3ccccc3[N+](=O)[O-])C2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-11-7-9-13(10-8-11)19-16(21)12(2)18(17(19)22)14-5-3-4-6-15(14)20(23)24/h3-10,12H,1-2H3
InChIKeyRAAQIXAMIGLHFQ-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.26
Rot. Bonds3

About 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione

5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 20675335) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione
PubChem CID20675335
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)C(C)N(c3ccccc3[N+](=O)[O-])C2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-11-7-9-13(10-8-11)19-16(21)12(2)18(17(19)22)14-5-3-4-6-15(14)20(23)24/h3-10,12H,1-2H3
InChIKeyRAAQIXAMIGLHFQ-UHFFFAOYSA-N
XLogP3.26
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione (CID 20675335) is 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)C(C)N(c3ccccc3[N+](=O)[O-])C2=O)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is RAAQIXAMIGLHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-11-7-9-13(10-8-11)19-16(21)12(2)18(17(19)22)14-5-3-4-6-15(14)20(23)24/h3-10,12H,1-2H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione?
5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 325.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)-1-(2-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 20675335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).