(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

C18H17N3O4 — CID 135800304

IUPAC(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)c(O)c2)C1=O
InChIInChI=1S/C18H17N3O4/c1-2-18(13-6-4-3-5-7-13)16(24)21(17(25)20-18)19-11-12-8-9-14(22)15(23)10-12/h3-11,22-23H,2H2,1H3,(H,20,25)/b19-11+/t18-/m1/s1
InChIKeyJKTKZGQDNBUDAU-HDAJJNEKSA-N
MW339.35 g/mol
LogP2.29
Rot. Bonds4

About (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 135800304) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID135800304
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)c(O)c2)C1=O
InChIInChI=1S/C18H17N3O4/c1-2-18(13-6-4-3-5-7-13)16(24)21(17(25)20-18)19-11-12-8-9-14(22)15(23)10-12/h3-11,22-23H,2H2,1H3,(H,20,25)/b19-11+/t18-/m1/s1
InChIKeyJKTKZGQDNBUDAU-HDAJJNEKSA-N
XLogP2.29
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296879
(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 135800290
(5S)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296878
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
CID 9297096
(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297392
(5R)-3-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297167
(5R)-3-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297488
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297483
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 135800304) is (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)c(O)c2)C1=O.
What is the InChIKey of (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is JKTKZGQDNBUDAU-HDAJJNEKSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-2-18(13-6-4-3-5-7-13)16(24)21(17(25)20-18)19-11-12-8-9-14(22)15(23)10-12/h3-11,22-23H,2H2,1H3,(H,20,25)/b19-11+/t18-/m1/s1.
What are the key properties of (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 135800304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).