3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione

C24H21FN4O2 — CID 166187584

IUPAC3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
SMILESCN(C)c1ccc(/C=N/N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1F
InChIInChI=1S/C24H21FN4O2/c1-28(2)21-14-13-17(15-20(21)25)16-26-29-22(30)24(27-23(29)31,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,27,31)/b26-16+
InChIKeyPYDDMNNLPZZTRL-WGOQTCKBSA-N
MW416.46 g/mol
LogP3.72
Rot. Bonds5

About 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione

3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 166187584) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID166187584
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
SMILESCN(C)c1ccc(/C=N/N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1F
InChIInChI=1S/C24H21FN4O2/c1-28(2)21-14-13-17(15-20(21)25)16-26-29-22(30)24(27-23(29)31,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,27,31)/b26-16+
InChIKeyPYDDMNNLPZZTRL-WGOQTCKBSA-N
XLogP3.72
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione (CID 166187584) is 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione is CN(C)c1ccc(/C=N/N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1F.
What is the InChIKey of 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is PYDDMNNLPZZTRL-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-28(2)21-14-13-17(15-20(21)25)16-26-29-22(30)24(27-23(29)31,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,27,31)/b26-16+.
What are the key properties of 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 416.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 166187584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).