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

C14H18FN3O — CID 79504667

IUPAC5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)cc2)N1CC1CCCO1
InChIInChI=1S/C14H18FN3O/c15-11-5-3-10(4-6-11)13-8-17-14(16)18(13)9-12-2-1-7-19-12/h3-6,12-13H,1-2,7-9H2,(H2,16,17)
InChIKeyQGKYSVSMLRKXLI-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.68
Rot. Bonds3

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

5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79504667) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79504667
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(F)cc2)N1CC1CCCO1
InChIInChI=1S/C14H18FN3O/c15-11-5-3-10(4-6-11)13-8-17-14(16)18(13)9-12-2-1-7-19-12/h3-6,12-13H,1-2,7-9H2,(H2,16,17)
InChIKeyQGKYSVSMLRKXLI-UHFFFAOYSA-N
XLogP1.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79504667) is 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(F)cc2)N1CC1CCCO1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is QGKYSVSMLRKXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-11-5-3-10(4-6-11)13-8-17-14(16)18(13)9-12-2-1-7-19-12/h3-6,12-13H,1-2,7-9H2,(H2,16,17).
What are the key properties of 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79504667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).