(5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione

C18H16FN3O2 — CID 9296488

IUPAC(5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H16FN3O2/c1-2-18(14-6-4-3-5-7-14)16(23)22(17(24)21-18)20-12-13-8-10-15(19)11-9-13/h3-12H,2H2,1H3,(H,21,24)/b20-12-/t18-/m0/s1
InChIKeyASAIGQBUJVEZRP-HRVJUDJTSA-N
MW325.34 g/mol
LogP3.02
Rot. Bonds4

About (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione

(5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione (PubChem CID 9296488) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
PubChem CID9296488
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name(5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H16FN3O2/c1-2-18(14-6-4-3-5-7-14)16(23)22(17(24)21-18)20-12-13-8-10-15(19)11-9-13/h3-12H,2H2,1H3,(H,21,24)/b20-12-/t18-/m0/s1
InChIKeyASAIGQBUJVEZRP-HRVJUDJTSA-N
XLogP3.02
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione (CID 9296488) is (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2ccc(F)cc2)C1=O.
What is the InChIKey of (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The InChIKey is ASAIGQBUJVEZRP-HRVJUDJTSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-18(14-6-4-3-5-7-14)16(23)22(17(24)21-18)20-12-13-8-10-15(19)11-9-13/h3-12H,2H2,1H3,(H,21,24)/b20-12-/t18-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
(5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione has a molecular weight of 325.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9296488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).