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

C12H12FN3O2 — CID 107693885

IUPAC5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FN3O2/c13-8-5-6(1-4-9(8)17)10-11(14)15-12(18)16(10)7-2-3-7/h1,4-5,7,10,17H,2-3H2,(H2,14,15,18)
InChIKeyXYFUCORSCWLHJW-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.53
Rot. Bonds2

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

5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one (PubChem CID 107693885) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
PubChem CID107693885
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FN3O2/c13-8-5-6(1-4-9(8)17)10-11(14)15-12(18)16(10)7-2-3-7/h1,4-5,7,10,17H,2-3H2,(H2,14,15,18)
InChIKeyXYFUCORSCWLHJW-UHFFFAOYSA-N
XLogP1.53
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-Fluoro-4-hydroxyphenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 71011101
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146496897
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
1-Cyclopropyl-3-[2-(4-fluorophenyl)ethyl]-1-[(4-hydroxyphenyl)methyl]urea
CID 45906134
5-amino-3-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79959636
5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79959721
5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one
CID 79960062
5-amino-3-methyl-4-[4-(trifluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79960131
5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one
CID 79960284

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one (CID 107693885) is 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1c1ccc(O)c(F)c1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
The InChIKey is XYFUCORSCWLHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-8-5-6(1-4-9(8)17)10-11(14)15-12(18)16(10)7-2-3-7/h1,4-5,7,10,17H,2-3H2,(H2,14,15,18).
What are the key properties of 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one has a molecular weight of 249.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 107693885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).