1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine

C13H16FN3O — CID 79505290

IUPAC1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOC2)N1c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c14-10-1-3-11(4-2-10)17-12(7-16-13(17)15)9-5-6-18-8-9/h1-4,9,12H,5-8H2,(H2,15,16)
InChIKeyVYEQVXLTDZOWEM-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.37
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine

1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505290) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79505290
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOC2)N1c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c14-10-1-3-11(4-2-10)17-12(7-16-13(17)15)9-5-6-18-8-9/h1-4,9,12H,5-8H2,(H2,15,16)
InChIKeyVYEQVXLTDZOWEM-UHFFFAOYSA-N
XLogP1.37
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine (CID 79505290) is 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CCOC2)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VYEQVXLTDZOWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-10-1-3-11(4-2-10)17-12(7-16-13(17)15)9-5-6-18-8-9/h1-4,9,12H,5-8H2,(H2,15,16).
What are the key properties of 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 249.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).