1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine

C12H11FIN3 — CID 106576416

IUPAC1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(F)cc1I
InChIInChI=1S/C12H11FIN3/c1-2-5-15-12-16-6-7-17(12)11-4-3-9(13)8-10(11)14/h2-4,6-8H,1,5H2,(H,15,16)
InChIKeyQRGQHXJWBZTVQL-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine

1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106576416) has the molecular formula C12H11FIN3 and a molecular weight of 343.14 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106576416
Molecular FormulaC12H11FIN3
Molecular Weight343.14 g/mol
Exact Mass343.00
IUPAC Name1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(F)cc1I
InChIInChI=1S/C12H11FIN3/c1-2-5-15-12-16-6-7-17(12)11-4-3-9(13)8-10(11)14/h2-4,6-8H,1,5H2,(H,15,16)
InChIKeyQRGQHXJWBZTVQL-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556824
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655
1-(4-fluoro-2-iodophenyl)imidazol-2-amine
CID 106576379
N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556180
1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
CID 106558616
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106559705
1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106571459
1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
CID 106554110
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
N-[(2,5-difluorophenyl)methyl]-1-phenylimidazol-2-amine
CID 106573221
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine (CID 106576416) is 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1-c1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is QRGQHXJWBZTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3/c1-2-5-15-12-16-6-7-17(12)11-4-3-9(13)8-10(11)14/h2-4,6-8H,1,5H2,(H,15,16).
What are the key properties of 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine?
1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 343.14 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106576416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).