5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

C13H18FN3O — CID 79505381

IUPAC5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c1-13(10-4-3-5-11(14)8-10)9-16-12(15)17(13)6-7-18-2/h3-5,8H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyFQDOLVWQLCEEPR-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.32
Rot. Bonds4

About 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79505381) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79505381
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c1-13(10-4-3-5-11(14)8-10)9-16-12(15)17(13)6-7-18-2/h3-5,8H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyFQDOLVWQLCEEPR-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-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79505381) is 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is FQDOLVWQLCEEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-13(10-4-3-5-11(14)8-10)9-16-12(15)17(13)6-7-18-2/h3-5,8H,6-7,9H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-(3-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-(3-fluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79505381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).