1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine

C11H12FN3 — CID 139348686

IUPAC1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine
SMILESCC(c1ccc(F)cc1)n1cnc(N)c1
InChIInChI=1S/C11H12FN3/c1-8(15-6-11(13)14-7-15)9-2-4-10(12)5-3-9/h2-8H,13H2,1H3
InChIKeyOKGXUFQSNUJXRF-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.21
Rot. Bonds2

About 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine

1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine (PubChem CID 139348686) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine
PubChem CID139348686
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine
SMILESCC(c1ccc(F)cc1)n1cnc(N)c1
InChIInChI=1S/C11H12FN3/c1-8(15-6-11(13)14-7-15)9-2-4-10(12)5-3-9/h2-8H,13H2,1H3
InChIKeyOKGXUFQSNUJXRF-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine (CID 139348686) is 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine is CC(c1ccc(F)cc1)n1cnc(N)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine?
The InChIKey is OKGXUFQSNUJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8(15-6-11(13)14-7-15)9-2-4-10(12)5-3-9/h2-8H,13H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine?
1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine has a molecular weight of 205.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]imidazol-4-amine is sourced from PubChem (CID 139348686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).