(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

C17H15N3O3 — CID 135673695

IUPAC(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)cc2)C1=O
InChIInChI=1S/C17H15N3O3/c1-17(13-5-3-2-4-6-13)15(22)20(16(23)19-17)18-11-12-7-9-14(21)10-8-12/h2-11,21H,1H3,(H,19,23)/b18-11+/t17-/m0/s1
InChIKeyFTVLZSANUMYQNZ-SZLZGVTBSA-N
MW309.33 g/mol
LogP2.19
Rot. Bonds3

About (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 135673695) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID135673695
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)cc2)C1=O
InChIInChI=1S/C17H15N3O3/c1-17(13-5-3-2-4-6-13)15(22)20(16(23)19-17)18-11-12-7-9-14(21)10-8-12/h2-11,21H,1H3,(H,19,23)/b18-11+/t17-/m0/s1
InChIKeyFTVLZSANUMYQNZ-SZLZGVTBSA-N
XLogP2.19
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 135673695) is (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)cc2)C1=O.
What is the InChIKey of (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is FTVLZSANUMYQNZ-SZLZGVTBSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-17(13-5-3-2-4-6-13)15(22)20(16(23)19-17)18-11-12-7-9-14(21)10-8-12/h2-11,21H,1H3,(H,19,23)/b18-11+/t17-/m0/s1.
What are the key properties of (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 309.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 135673695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).