4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol

C12H14FN3O — CID 107693860

IUPAC4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
SMILESC=CCN1C(N)=NCC1c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-5-16-10(7-15-12(16)14)8-3-4-11(17)9(13)6-8/h2-4,6,10,17H,1,5,7H2,(H2,14,15)
InChIKeyAWYOZXBZMLHFBD-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.39
Rot. Bonds3

About 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol

4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol (PubChem CID 107693860) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
PubChem CID107693860
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
SMILESC=CCN1C(N)=NCC1c1ccc(O)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-5-16-10(7-15-12(16)14)8-3-4-11(17)9(13)6-8/h2-4,6,10,17H,1,5,7H2,(H2,14,15)
InChIKeyAWYOZXBZMLHFBD-UHFFFAOYSA-N
XLogP1.39
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The IUPAC name of 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol (CID 107693860) is 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol.
What is the SMILES notation for 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The canonical SMILES for 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol is C=CCN1C(N)=NCC1c1ccc(O)c(F)c1.
What is the InChIKey of 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The InChIKey is AWYOZXBZMLHFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-5-16-10(7-15-12(16)14)8-3-4-11(17)9(13)6-8/h2-4,6,10,17H,1,5,7H2,(H2,14,15).
What are the key properties of 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol has a molecular weight of 235.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol is sourced from PubChem (CID 107693860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).