5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

C13H17F2N3O — CID 79504623

IUPAC5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N3O/c1-13(11-9(14)4-3-5-10(11)15)8-17-12(16)18(13)6-7-19-2/h3-5H,6-8H2,1-2H3,(H2,16,17)
InChIKeyDKSVSSHETLDCNW-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.46
Rot. Bonds4

About 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine

5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79504623) has the molecular formula C13H17F2N3O and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79504623
Molecular FormulaC13H17F2N3O
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCN1C(N)=NCC1(C)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N3O/c1-13(11-9(14)4-3-5-10(11)15)8-17-12(16)18(13)6-7-19-2/h3-5H,6-8H2,1-2H3,(H2,16,17)
InChIKeyDKSVSSHETLDCNW-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79504623) is 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCN1C(N)=NCC1(C)c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is DKSVSSHETLDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-13(11-9(14)4-3-5-10(11)15)8-17-12(16)18(13)6-7-19-2/h3-5H,6-8H2,1-2H3,(H2,16,17).
What are the key properties of 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 269.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).