1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine

C17H16FN3 — CID 106564561

IUPAC1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine
SMILESCC(c1ccccc1F)n1ccnc1Nc1ccccc1
InChIInChI=1S/C17H16FN3/c1-13(15-9-5-6-10-16(15)18)21-12-11-19-17(21)20-14-7-3-2-4-8-14/h2-13H,1H3,(H,19,20)
InChIKeyWHWOOVSMMOBWCY-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.38
Rot. Bonds4

About 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine

1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine (PubChem CID 106564561) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine
PubChem CID106564561
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine
SMILESCC(c1ccccc1F)n1ccnc1Nc1ccccc1
InChIInChI=1S/C17H16FN3/c1-13(15-9-5-6-10-16(15)18)21-12-11-19-17(21)20-14-7-3-2-4-8-14/h2-13H,1H3,(H,19,20)
InChIKeyWHWOOVSMMOBWCY-UHFFFAOYSA-N
XLogP4.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine (CID 106564561) is 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine is CC(c1ccccc1F)n1ccnc1Nc1ccccc1.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine?
The InChIKey is WHWOOVSMMOBWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-13(15-9-5-6-10-16(15)18)21-12-11-19-17(21)20-14-7-3-2-4-8-14/h2-13H,1H3,(H,19,20).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine?
1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine has a molecular weight of 281.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine is sourced from PubChem (CID 106564561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).