(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione

C18H12F4N2O2 — CID 2187981

IUPAC(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C18H12F4N2O2/c19-14-7-2-1-5-12(14)10-24-16(25)15(23-17(24)26)9-11-4-3-6-13(8-11)18(20,21)22/h1-9H,10H2,(H,23,26)/b15-9+
InChIKeyYBUGFHWHIJWZNO-OQLLNIDSSA-N
MW364.30 g/mol
LogP3.94
Rot. Bonds3

About (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 2187981) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID2187981
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C18H12F4N2O2/c19-14-7-2-1-5-12(14)10-24-16(25)15(23-17(24)26)9-11-4-3-6-13(8-11)18(20,21)22/h1-9H,10H2,(H,23,26)/b15-9+
InChIKeyYBUGFHWHIJWZNO-OQLLNIDSSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (CID 2187981) is (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1F.
What is the InChIKey of (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is YBUGFHWHIJWZNO-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c19-14-7-2-1-5-12(14)10-24-16(25)15(23-17(24)26)9-11-4-3-6-13(8-11)18(20,21)22/h1-9H,10H2,(H,23,26)/b15-9+.
What are the key properties of (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 364.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2187981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).