5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

C13H18FN3O — CID 79504716

IUPAC5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccccc1F
InChIInChI=1S/C13H18FN3O/c1-13(10-5-3-4-6-11(10)14)9-16-12(15)17(13)7-8-18-2/h3-6H,7-9H2,1-2H3,(H2,15,16)
InChIKeyZQKYHKKYZNYQFZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.32
Rot. Bonds4

About 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79504716) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79504716
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1ccccc1F
InChIInChI=1S/C13H18FN3O/c1-13(10-5-3-4-6-11(10)14)9-16-12(15)17(13)7-8-18-2/h3-6H,7-9H2,1-2H3,(H2,15,16)
InChIKeyZQKYHKKYZNYQFZ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79504716) is 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is ZQKYHKKYZNYQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-13(10-5-3-4-6-11(10)14)9-16-12(15)17(13)7-8-18-2/h3-6H,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 251.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).