5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine

C12H11F2N3 — CID 62223987

IUPAC5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C12H11F2N3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2
InChIKeyGHGSPFDMYORJFJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.60
Rot. Bonds3

About 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine

5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 62223987) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID62223987
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C12H11F2N3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2
InChIKeyGHGSPFDMYORJFJ-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 114859665
2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 62220431
5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
CID 62224515
5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 79584687
5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 83231149
3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62018117
5-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017562
5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine
CID 62224158
3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62223980
5-(4-methoxy-3-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 62226555
3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62125231
3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62017944

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine (CID 62223987) is 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2cc(F)ccc2F)c1N.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is GHGSPFDMYORJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2.
What are the key properties of 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 235.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62223987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).