(5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one

C13H15N3O3 — CID 136694831

IUPAC(5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one
SMILESCC/N=C1\NC(=O)/C(=C\c2ccc(O)c(OC)c2)N1
InChIInChI=1S/C13H15N3O3/c1-3-14-13-15-9(12(18)16-13)6-8-4-5-10(17)11(7-8)19-2/h4-7,17H,3H2,1-2H3,(H2,14,15,16,18)/b9-6+
InChIKeyJUBKNFZNUKZEEK-RMKNXTFCSA-N
MW261.28 g/mol
LogP0.84
Rot. Bonds3

About (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one

(5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one (PubChem CID 136694831) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one
PubChem CID136694831
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one
SMILESCC/N=C1\NC(=O)/C(=C\c2ccc(O)c(OC)c2)N1
InChIInChI=1S/C13H15N3O3/c1-3-14-13-15-9(12(18)16-13)6-8-4-5-10(17)11(7-8)19-2/h4-7,17H,3H2,1-2H3,(H2,14,15,16,18)/b9-6+
InChIKeyJUBKNFZNUKZEEK-RMKNXTFCSA-N
XLogP0.84
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 72983742
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 3391519
(5Z)-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-(3-nitrosopropylimino)imidazolidin-4-one
CID 143785611
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione
CID 141167156
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 717415
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 741231
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
1-(4-ethylphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6614826
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione
CID 5377599
(5E)-3-benzyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 91659291

Frequently Asked Questions

What is the IUPAC name of (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one?
The IUPAC name of (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one (CID 136694831) is (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one.
What is the SMILES notation for (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one?
The canonical SMILES for (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one is CC/N=C1\NC(=O)/C(=C\c2ccc(O)c(OC)c2)N1.
What is the InChIKey of (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one?
The InChIKey is JUBKNFZNUKZEEK-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-14-13-15-9(12(18)16-13)6-8-4-5-10(17)11(7-8)19-2/h4-7,17H,3H2,1-2H3,(H2,14,15,16,18)/b9-6+.
What are the key properties of (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one?
(5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one has a molecular weight of 261.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one is sourced from PubChem (CID 136694831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).