5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione

C15H9N5O6 — CID 163725711

IUPAC5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione
SMILES[H]/N=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H9N5O6/c16-13-14(21)18(10-3-7-12(8-4-10)20(25)26)15(22)17(13)9-1-5-11(6-2-9)19(23)24/h1-8,16H/b16-13+
InChIKeyKVJOLDOTGJGVCV-DTQAZKPQSA-N
MW355.27 g/mol
LogP2.45
Rot. Bonds4

About 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione

5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 163725711) has the molecular formula C15H9N5O6 and a molecular weight of 355.27 g/mol. Its IUPAC name is 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID163725711
Molecular FormulaC15H9N5O6
Molecular Weight355.27 g/mol
Exact Mass355.06
IUPAC Name5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione
SMILES[H]/N=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H9N5O6/c16-13-14(21)18(10-3-7-12(8-4-10)20(25)26)15(22)17(13)9-1-5-11(6-2-9)19(23)24/h1-8,16H/b16-13+
InChIKeyKVJOLDOTGJGVCV-DTQAZKPQSA-N
XLogP2.45
TPSA150.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 7109767
1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one
CID 15339807
(3aR,4S,7S,7aR)-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98068090
(3aS,4R,7S,7aR)-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 11219886
3,4-bis(4-nitrophenyl)-1,3-thiazol-2-imine
CID 139218619
4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one
CID 10067588
1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione
CID 101057085
10-(4-nitrophenyl)-9H-acridine
CID 12969132
4-[(5Z)-2-imino-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824601
1-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CID 8597408
2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 3109986
1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 66605218

Frequently Asked Questions

What is the IUPAC name of 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione (CID 163725711) is 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione is [H]/N=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is KVJOLDOTGJGVCV-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H9N5O6/c16-13-14(21)18(10-3-7-12(8-4-10)20(25)26)15(22)17(13)9-1-5-11(6-2-9)19(23)24/h1-8,16H/b16-13+.
What are the key properties of 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione?
5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 355.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 163725711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).