(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione

C23H22FN5O2 — CID 9297603

IUPAC(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2c(C)nn(-c3ccc(F)cc3)c2C)C1=O
InChIInChI=1S/C23H22FN5O2/c1-4-23(17-8-6-5-7-9-17)21(30)29(22(31)26-23)25-14-20-15(2)27-28(16(20)3)19-12-10-18(24)11-13-19/h5-14H,4H2,1-3H3,(H,26,31)/b25-14-/t23-/m0/s1
InChIKeyTXDNEJSBWWIGFZ-HAMGHATCSA-N
MW419.46 g/mol
LogP3.82
Rot. Bonds5

About (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione

(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione (PubChem CID 9297603) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione
PubChem CID9297603
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2c(C)nn(-c3ccc(F)cc3)c2C)C1=O
InChIInChI=1S/C23H22FN5O2/c1-4-23(17-8-6-5-7-9-17)21(30)29(22(31)26-23)25-14-20-15(2)27-28(16(20)3)19-12-10-18(24)11-13-19/h5-14H,4H2,1-3H3,(H,26,31)/b25-14-/t23-/m0/s1
InChIKeyTXDNEJSBWWIGFZ-HAMGHATCSA-N
XLogP3.82
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297415
2-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 45114683
(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296516
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 135800304
(5R)-3-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297488
(Z)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028599
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 134014018
4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
CID 9297096
(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
CID 9024138

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione (CID 9297603) is (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2c(C)nn(-c3ccc(F)cc3)c2C)C1=O.
What is the InChIKey of (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione?
The InChIKey is TXDNEJSBWWIGFZ-HAMGHATCSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-4-23(17-8-6-5-7-9-17)21(30)29(22(31)26-23)25-14-20-15(2)27-28(16(20)3)19-12-10-18(24)11-13-19/h5-14H,4H2,1-3H3,(H,26,31)/b25-14-/t23-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione?
(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione has a molecular weight of 419.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9297603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).