5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one

C13H15N3O3 — CID 79967692

IUPAC5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(OC)c(O)c1
InChIInChI=1S/C13H15N3O3/c1-3-6-16-11(12(14)15-13(16)18)8-4-5-10(19-2)9(17)7-8/h3-5,7,11,17H,1,6H2,2H3,(H2,14,15,18)
InChIKeyUKEXRTIMRICIFS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.42
Rot. Bonds4

About 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79967692) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79967692
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(OC)c(O)c1
InChIInChI=1S/C13H15N3O3/c1-3-6-16-11(12(14)15-13(16)18)8-4-5-10(19-2)9(17)7-8/h3-5,7,11,17H,1,6H2,2H3,(H2,14,15,18)
InChIKeyUKEXRTIMRICIFS-UHFFFAOYSA-N
XLogP1.42
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967051
5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967975
5-amino-4-[3-(difluoromethyl)phenyl]-3-prop-2-enyl-4H-imidazol-2-one
CID 115530438
5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967427
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497862
5-amino-4-(7-chloro-1,3-benzodioxol-5-yl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967320
5-(3-hydroxy-4-methoxyphenyl)-1,3-dimethylimidazolidine-2,4-dione
CID 82119257
(4R)-1-(3,5-dimethoxy-4-methylphenyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methylideneazetidin-2-one
CID 131974459
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
(3E,4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one
CID 155649067
5-amino-3-but-3-yn-2-yl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one
CID 114420959

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one (CID 79967692) is 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1c1ccc(OC)c(O)c1.
What is the InChIKey of 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is UKEXRTIMRICIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-6-16-11(12(14)15-13(16)18)8-4-5-10(19-2)9(17)7-8/h3-5,7,11,17H,1,6H2,2H3,(H2,14,15,18).
What are the key properties of 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79967692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).