5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one

C14H17N3O3 — CID 79967051

IUPAC5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-4-7-17-12(13(15)16-14(17)18)9-5-6-10(19-2)11(8-9)20-3/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18)
InChIKeyMEMYUDSVAHLGDA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.72
Rot. Bonds5

About 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79967051) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79967051
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-4-7-17-12(13(15)16-14(17)18)9-5-6-10(19-2)11(8-9)20-3/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18)
InChIKeyMEMYUDSVAHLGDA-UHFFFAOYSA-N
XLogP1.72
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967975
5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967692
5-amino-4-(2,5-dimethylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967427
5-amino-4-[3-(difluoromethyl)phenyl]-3-prop-2-enyl-4H-imidazol-2-one
CID 115530438
(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one
CID 122372888
3-(3,4-dimethoxyphenyl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione
CID 170921820
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
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-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
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-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one (CID 79967051) is 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is MEMYUDSVAHLGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-7-17-12(13(15)16-14(17)18)9-5-6-10(19-2)11(8-9)20-3/h4-6,8,12H,1,7H2,2-3H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 275.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79967051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).