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

C14H19N3O3 — CID 79962136

IUPAC5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(O)c(OCC)c1
InChIInChI=1S/C14H19N3O3/c1-3-7-17-12(13(15)16-14(17)19)9-5-6-10(18)11(8-9)20-4-2/h5-6,8,12,18H,3-4,7H2,1-2H3,(H2,15,16,19)
InChIKeySAQQOLOZMQIJHE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.03
Rot. Bonds5

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

5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79962136) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79962136
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(O)c(OCC)c1
InChIInChI=1S/C14H19N3O3/c1-3-7-17-12(13(15)16-14(17)19)9-5-6-10(18)11(8-9)20-4-2/h5-6,8,12,18H,3-4,7H2,1-2H3,(H2,15,16,19)
InChIKeySAQQOLOZMQIJHE-UHFFFAOYSA-N
XLogP2.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-amino-4-naphthalen-2-yl-3-propyl-4H-imidazol-2-one
CID 79961605
1-(3-ethoxy-4-hydroxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880704
3-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)benzonitrile
CID 79961947
3-(5-chloro-2-hydroxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135669635
5-amino-4-(3-hydroxy-4-methoxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967692
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108620648
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79959516
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3-(3-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51426463
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51426385
(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)-hydroxymethylidene]-1-propylpyrrolidine-2,3-dione
CID 108620657

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one (CID 79962136) is 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1ccc(O)c(OCC)c1.
What is the InChIKey of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is SAQQOLOZMQIJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-7-17-12(13(15)16-14(17)19)9-5-6-10(18)11(8-9)20-4-2/h5-6,8,12,18H,3-4,7H2,1-2H3,(H2,15,16,19).
What are the key properties of 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79962136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).