5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine

C13H14FN3 — CID 53275761

IUPAC5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccccc2F)c1N
InChIInChI=1S/C13H14FN3/c1-3-8-17-9(2)16-12(13(17)15)10-6-4-5-7-11(10)14/h3-7H,1,8,15H2,2H3
InChIKeyPBFCCCSTXRNNDY-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.77
Rot. Bonds3

About 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine

5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (PubChem CID 53275761) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
PubChem CID53275761
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccccc2F)c1N
InChIInChI=1S/C13H14FN3/c1-3-8-17-9(2)16-12(13(17)15)10-6-4-5-7-11(10)14/h3-7H,1,8,15H2,2H3
InChIKeyPBFCCCSTXRNNDY-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-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-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (CID 53275761) is 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2ccccc2F)c1N.
What is the InChIKey of 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is PBFCCCSTXRNNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-3-8-17-9(2)16-12(13(17)15)10-6-4-5-7-11(10)14/h3-7H,1,8,15H2,2H3.
What are the key properties of 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 231.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 53275761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).