5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one

C12H12FN3O2 — CID 107693890

IUPAC5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FN3O2/c1-2-5-16-10(11(14)15-12(16)18)7-3-4-9(17)8(13)6-7/h2-4,6,10,17H,1,5H2,(H2,14,15,18)
InChIKeyXVNNBZJIMBMLKE-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.55
Rot. Bonds3

About 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one

5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 107693890) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID107693890
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FN3O2/c1-2-5-16-10(11(14)15-12(16)18)7-3-4-9(17)8(13)6-7/h2-4,6,10,17H,1,5H2,(H2,14,15,18)
InChIKeyXVNNBZJIMBMLKE-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155512008
4-[(4R,5S)-2-ethyl-4-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]-3-fluorophenol
CID 11324591
3-fluoro-4-[(4R,5S)-4-(2-fluoro-4-hydroxyphenyl)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]phenol
CID 11426667
3-[(1S)-1-(4-hydroxyphenyl)ethyl]-1-methyl-1-(2-pyrrolidin-1-ylethyl)urea
CID 125437377
N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 70223599
N-cyclopentyl-4-(3-fluoro-4-hydroxyphenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 70223600
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146496897
1-[(3,5-Difluoro-4-hydroxyphenyl)methyl]imidazolidin-2-one
CID 155797942
2-(3,5-Difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
CID 170593007
1-[(4-fluorophenyl)methyl]-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 174937971
4-Amino-2-(4-hydroxyphenyl)-1,2-dihydroimidazol-5-one
CID 91092935
6-(4-Hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione
CID 91541128

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one (CID 107693890) is 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1c1ccc(O)c(F)c1.
What is the InChIKey of 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is XVNNBZJIMBMLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-5-16-10(11(14)15-12(16)18)7-3-4-9(17)8(13)6-7/h2-4,6,10,17H,1,5H2,(H2,14,15,18).
What are the key properties of 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 249.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 107693890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).