5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine

C14H18FN3 — CID 79496749

IUPAC5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(CC)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-9-18-13(16)17-10-14(18,4-2)11-5-7-12(15)8-6-11/h3,5-8H,1,4,9-10H2,2H3,(H2,16,17)
InChIKeyPIYSVGWCJDJHKJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.25
Rot. Bonds4

About 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine

5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79496749) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79496749
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(CC)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-9-18-13(16)17-10-14(18,4-2)11-5-7-12(15)8-6-11/h3,5-8H,1,4,9-10H2,2H3,(H2,16,17)
InChIKeyPIYSVGWCJDJHKJ-UHFFFAOYSA-N
XLogP2.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine (CID 79496749) is 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(CC)c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is PIYSVGWCJDJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-9-18-13(16)17-10-14(18,4-2)11-5-7-12(15)8-6-11/h3,5-8H,1,4,9-10H2,2H3,(H2,16,17).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine?
5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-fluorophenyl)-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79496749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).