5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione

C17H10F3N3O5 — CID 2913922

IUPAC5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)N1
InChIInChI=1S/C17H10F3N3O5/c18-17(19,20)10-3-6-14(13(8-10)23(26)27)28-11-4-1-9(2-5-11)7-12-15(24)22-16(25)21-12/h1-8H,(H2,21,22,24,25)
InChIKeyAUOQHMSUGZAJLS-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.59
Rot. Bonds4

About 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione

5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 2913922) has the molecular formula C17H10F3N3O5 and a molecular weight of 393.28 g/mol. Its IUPAC name is 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID2913922
Molecular FormulaC17H10F3N3O5
Molecular Weight393.28 g/mol
Exact Mass393.06
IUPAC Name5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)N1
InChIInChI=1S/C17H10F3N3O5/c18-17(19,20)10-3-6-14(13(8-10)23(26)27)28-11-4-1-9(2-5-11)7-12-15(24)22-16(25)21-12/h1-8H,(H2,21,22,24,25)
InChIKeyAUOQHMSUGZAJLS-UHFFFAOYSA-N
XLogP3.59
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

(5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58591643
3-[(4-bromophenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 3868898
(5E)-3-[(4-methylphenyl)methyl]-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126237829
5-[[3,5-dichloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126083873
N-(4-methylphenyl)-2-[4-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3787227
5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126082813
(5E)-3-ethyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126091928
(4Z)-2-(4-iodophenyl)-4-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670805
(4Z)-2-naphthalen-2-yl-4-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19674818
1,1,2,2,3,3,3-heptafluoro-N-[(E)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]propan-1-amine
CID 126044338
(4Z)-2-(3-methyl-4-nitrophenyl)-4-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19667597
(5E)-3-(3-chlorophenyl)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126222450

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 2913922) is 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)N1.
What is the InChIKey of 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is AUOQHMSUGZAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O5/c18-17(19,20)10-3-6-14(13(8-10)23(26)27)28-11-4-1-9(2-5-11)7-12-15(24)22-16(25)21-12/h1-8H,(H2,21,22,24,25).
What are the key properties of 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione?
5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 393.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2913922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).