3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

C24H18N6O4 — CID 146037880

IUPAC3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1
InChIInChI=1S/C24H18N6O4/c31-22-24(17-8-3-1-4-9-17,18-10-5-2-6-11-18)25-23(32)28(22)15-19-16-29(27-26-19)20-12-7-13-21(14-20)30(33)34/h1-14,16H,15H2,(H,25,32)
InChIKeyLXPOJBMPOSPLJI-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.17
Rot. Bonds6

About 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 146037880) has the molecular formula C24H18N6O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID146037880
Molecular FormulaC24H18N6O4
Molecular Weight454.45 g/mol
Exact Mass454.14
IUPAC Name3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1
InChIInChI=1S/C24H18N6O4/c31-22-24(17-8-3-1-4-9-17,18-10-5-2-6-11-18)25-23(32)28(22)15-19-16-29(27-26-19)20-12-7-13-21(14-20)30(33)34/h1-14,16H,15H2,(H,25,32)
InChIKeyLXPOJBMPOSPLJI-UHFFFAOYSA-N
XLogP3.17
TPSA123.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.17
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'}

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Related Compounds

3-[(1-Phenyl-1h-1,2,3-triazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037865
3-[(1-Benzyl-1h-1,2,3-triazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037870
3-[[1-(4-Methylbenzyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037873
3-[[1-(4-Chloro-2-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037884
3-[[1-(4-Chloro-3-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037885
3-[[1-(2-Chloro-4-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037886
1,3-Bis[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037910
1,3-Bis[[1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037929
1,3-Bis[[1-(4-chloro-3-nitrophenyl)-1h-1,2,3-triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 146037933
3-[[1-(3-Fluorophenyl)pyrazol-3-yl]methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 56255205
3-[(1,3-Diphenylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 60345361
3-{[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-1,3-diazaspiro[4.5]decane-2,4-dione
CID 163355149

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 146037880) is 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1.
What is the InChIKey of 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is LXPOJBMPOSPLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O4/c31-22-24(17-8-3-1-4-9-17,18-10-5-2-6-11-18)25-23(32)28(22)15-19-16-29(27-26-19)20-12-7-13-21(14-20)30(33)34/h1-14,16H,15H2,(H,25,32).
What are the key properties of 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 454.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-nitrophenyl)triazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 146037880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).