5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

C13H16FN3 — CID 79498707

IUPAC5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-3-7-17-12(15)16-9-13(17,2)10-5-4-6-11(14)8-10/h3-6,8H,1,7,9H2,2H3,(H2,15,16)
InChIKeyPJSHUQGURPFLFV-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.86
Rot. Bonds3

About 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79498707) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79498707
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-3-7-17-12(15)16-9-13(17,2)10-5-4-6-11(14)8-10/h3-6,8H,1,7,9H2,2H3,(H2,15,16)
InChIKeyPJSHUQGURPFLFV-UHFFFAOYSA-N
XLogP1.86
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.86
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-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79498707) is 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is PJSHUQGURPFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-7-17-12(15)16-9-13(17,2)10-5-4-6-11(14)8-10/h3-6,8H,1,7,9H2,2H3,(H2,15,16).
What are the key properties of 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79498707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).