5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one

C14H19N3O4 — CID 79973133

IUPAC5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
SMILESCCOc1cc(C2C(N)=NC(=O)N2CCOC)ccc1O
InChIInChI=1S/C14H19N3O4/c1-3-21-11-8-9(4-5-10(11)18)12-13(15)16-14(19)17(12)6-7-20-2/h4-5,8,12,18H,3,6-7H2,1-2H3,(H2,15,16,19)
InChIKeyMRMKUVWUSSKNFG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.27
Rot. Bonds6

About 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one

5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one (PubChem CID 79973133) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
PubChem CID79973133
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
SMILESCCOc1cc(C2C(N)=NC(=O)N2CCOC)ccc1O
InChIInChI=1S/C14H19N3O4/c1-3-21-11-8-9(4-5-10(11)18)12-13(15)16-14(19)17(12)6-7-20-2/h4-5,8,12,18H,3,6-7H2,1-2H3,(H2,15,16,19)
InChIKeyMRMKUVWUSSKNFG-UHFFFAOYSA-N
XLogP1.27
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
CID 79962136
(4R)-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136902829
(5S)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 7371750
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 108585299
4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135922355
3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 5156083
7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706175
1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706025
5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 3148653
(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(4-methoxy-2,5-dimethylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108585302
9-(3-ethoxy-4-hydroxyphenyl)-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 2902394
5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one
CID 79966923

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one (CID 79973133) is 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one is CCOc1cc(C2C(N)=NC(=O)N2CCOC)ccc1O.
What is the InChIKey of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
The InChIKey is MRMKUVWUSSKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-11-8-9(4-5-10(11)18)12-13(15)16-14(19)17(12)6-7-20-2/h4-5,8,12,18H,3,6-7H2,1-2H3,(H2,15,16,19).
What are the key properties of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one?
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one is sourced from PubChem (CID 79973133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).