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

C13H15N3O4 — CID 140632500

IUPAC5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2cc(OC)c(O)c(OC)c2)N1C
InChIInChI=1S/C13H15N3O4/c1-16-8(12(18)15-13(16)14)4-7-5-9(19-2)11(17)10(6-7)20-3/h4-6,17H,1-3H3,(H2,14,15,18)
InChIKeyCFQQCFVBAVPGGM-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.75
Rot. Bonds3

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

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one (PubChem CID 140632500) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
PubChem CID140632500
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2cc(OC)c(O)c(OC)c2)N1C
InChIInChI=1S/C13H15N3O4/c1-16-8(12(18)15-13(16)14)4-7-5-9(19-2)11(17)10(6-7)20-3/h4-6,17H,1-3H3,(H2,14,15,18)
InChIKeyCFQQCFVBAVPGGM-UHFFFAOYSA-N
XLogP0.75
TPSA94.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 157483487
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 54295043
2-imino-1-methyl-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 171128296
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 140632499
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 126037191
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777238
2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 171128297
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
ethyl 2-[2-[(Z)-(2-imino-3-methyl-5-oxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 154778527
2-imino-1-methyl-5-propylideneimidazolidin-4-one
CID 152756211
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1251620
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one
CID 138720142

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one (CID 140632500) is 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2cc(OC)c(O)c(OC)c2)N1C.
What is the InChIKey of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
The InChIKey is CFQQCFVBAVPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16-8(12(18)15-13(16)14)4-7-5-9(19-2)11(17)10(6-7)20-3/h4-6,17H,1-3H3,(H2,14,15,18).
What are the key properties of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one?
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one has a molecular weight of 277.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 140632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).