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

C14H18FN3O — CID 79514198

IUPAC1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCCOC2)N1c1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c15-11-4-1-5-12(7-11)18-13(8-17-14(18)16)10-3-2-6-19-9-10/h1,4-5,7,10,13H,2-3,6,8-9H2,(H2,16,17)
InChIKeyILCZNXACUKAEIN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.76
Rot. Bonds2

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

1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514198) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79514198
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCCOC2)N1c1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c15-11-4-1-5-12(7-11)18-13(8-17-14(18)16)10-3-2-6-19-9-10/h1,4-5,7,10,13H,2-3,6,8-9H2,(H2,16,17)
InChIKeyILCZNXACUKAEIN-UHFFFAOYSA-N
XLogP1.76
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine (CID 79514198) is 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CCCOC2)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ILCZNXACUKAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-11-4-1-5-12(7-11)18-13(8-17-14(18)16)10-3-2-6-19-9-10/h1,4-5,7,10,13H,2-3,6,8-9H2,(H2,16,17).
What are the key properties of 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine?
1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).