5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C12H14FN3 — CID 79496904

IUPAC5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1ccccc1F
InChIInChI=1S/C12H14FN3/c1-2-7-16-11(8-15-12(16)14)9-5-3-4-6-10(9)13/h2-6,11H,1,7-8H2,(H2,14,15)
InChIKeyDZAVCVXTMHPHQJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.68
Rot. Bonds3

About 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79496904) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79496904
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1ccccc1F
InChIInChI=1S/C12H14FN3/c1-2-7-16-11(8-15-12(16)14)9-5-3-4-6-10(9)13/h2-6,11H,1,7-8H2,(H2,14,15)
InChIKeyDZAVCVXTMHPHQJ-UHFFFAOYSA-N
XLogP1.68
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79496904) is 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DZAVCVXTMHPHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-7-16-11(8-15-12(16)14)9-5-3-4-6-10(9)13/h2-6,11H,1,7-8H2,(H2,14,15).
What are the key properties of 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).