5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one

C24H26N6O6 — CID 157483487

IUPAC5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(OC)c(O)c2)N1C.[H]/N=C1\NC(=O)C(=Cc2ccc(OC)c(O)c2)N1C
InChIInChI=1S/2C12H13N3O3/c2*1-15-8(11(17)14-12(15)13)5-7-3-4-10(18-2)9(16)6-7/h2*3-6,16H,1-2H3,(H2,13,14,17)
InChIKeyBWKUVYZFNQGFEK-UHFFFAOYSA-N
MW494.51 g/mol
LogP1.48
Rot. Bonds4

About 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one

5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one (PubChem CID 157483487) has the molecular formula C24H26N6O6 and a molecular weight of 494.51 g/mol. Its IUPAC name is 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
PubChem CID157483487
Molecular FormulaC24H26N6O6
Molecular Weight494.51 g/mol
Exact Mass494.19
IUPAC Name5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(OC)c(O)c2)N1C.[H]/N=C1\NC(=O)C(=Cc2ccc(OC)c(O)c2)N1C
InChIInChI=1S/2C12H13N3O3/c2*1-15-8(11(17)14-12(15)13)5-7-3-4-10(18-2)9(16)6-7/h2*3-6,16H,1-2H3,(H2,13,14,17)
InChIKeyBWKUVYZFNQGFEK-UHFFFAOYSA-N
XLogP1.48
TPSA171.30 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 51.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 140632500
2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 171128296
5-methanimidoyl-2-methoxyphenol
CID 23221891
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096053
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 54295043
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 171128297
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2201806
ethyl 2-[2-[(Z)-(2-imino-3-methyl-5-oxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 154778527
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
(5Z)-1-ethyl-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2180149
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 67357920

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one (CID 157483487) is 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2ccc(OC)c(O)c2)N1C.[H]/N=C1\NC(=O)C(=Cc2ccc(OC)c(O)c2)N1C.
What is the InChIKey of 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
The InChIKey is BWKUVYZFNQGFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N3O3/c2*1-15-8(11(17)14-12(15)13)5-7-3-4-10(18-2)9(16)6-7/h2*3-6,16H,1-2H3,(H2,13,14,17).
What are the key properties of 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one has a molecular weight of 494.51 g/mol, XLogP of 1.48, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 157483487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).