5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine

C13H18FN3O — CID 79505460

IUPAC5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccc(F)cc1C
InChIInChI=1S/C13H18FN3O/c1-9-7-10(14)3-4-11(9)12-8-16-13(15)17(12)5-6-18-2/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyWTGPLIFXUFQOJB-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.45
Rot. Bonds4

About 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine

5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505460) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505460
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1ccc(F)cc1C
InChIInChI=1S/C13H18FN3O/c1-9-7-10(14)3-4-11(9)12-8-16-13(15)17(12)5-6-18-2/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16)
InChIKeyWTGPLIFXUFQOJB-UHFFFAOYSA-N
XLogP1.45
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (CID 79505460) is 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is COCCN1C(N)=NCC1c1ccc(F)cc1C.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is WTGPLIFXUFQOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-7-10(14)3-4-11(9)12-8-16-13(15)17(12)5-6-18-2/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,16).
What are the key properties of 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 251.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).