(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione

C21H19N3O3 — CID 9297456

IUPAC(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESC#CCOc1ccccc1/C=N\N1C(=O)N[C@](CC)(c2ccccc2)C1=O
InChIInChI=1S/C21H19N3O3/c1-3-14-27-18-13-9-8-10-16(18)15-22-24-19(25)21(4-2,23-20(24)26)17-11-6-5-7-12-17/h1,5-13,15H,4,14H2,2H3,(H,23,26)/b22-15-/t21-/m1/s1
InChIKeyWWVFRDVSTHVDLM-JHRFGPFWSA-N
MW361.40 g/mol
LogP2.89
Rot. Bonds6

About (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione

(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 9297456) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID9297456
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESC#CCOc1ccccc1/C=N\N1C(=O)N[C@](CC)(c2ccccc2)C1=O
InChIInChI=1S/C21H19N3O3/c1-3-14-27-18-13-9-8-10-16(18)15-22-24-19(25)21(4-2,23-20(24)26)17-11-6-5-7-12-17/h1,5-13,15H,4,14H2,2H3,(H,23,26)/b22-15-/t21-/m1/s1
InChIKeyWWVFRDVSTHVDLM-JHRFGPFWSA-N
XLogP2.89
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.89
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(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)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
(5R)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296879
(5S)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296878
(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 135800304
(5R)-3-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297167
(5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297403
(5S)-5-ethyl-3-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297603
(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297483

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione (CID 9297456) is (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione is C#CCOc1ccccc1/C=N\N1C(=O)N[C@](CC)(c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is WWVFRDVSTHVDLM-JHRFGPFWSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-14-27-18-13-9-8-10-16(18)15-22-24-19(25)21(4-2,23-20(24)26)17-11-6-5-7-12-17/h1,5-13,15H,4,14H2,2H3,(H,23,26)/b22-15-/t21-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-phenyl-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9297456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).