5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine

C13H17F2N3O — CID 79510829

IUPAC5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H17F2N3O/c1-3-18-12(16)17-8-13(18,2)9-5-4-6-10(7-9)19-11(14)15/h4-7,11H,3,8H2,1-2H3,(H2,16,17)
InChIKeyZQXAWSAJXMHDFN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.15
Rot. Bonds4

About 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine

5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79510829) has the molecular formula C13H17F2N3O and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine
PubChem CID79510829
Molecular FormulaC13H17F2N3O
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H17F2N3O/c1-3-18-12(16)17-8-13(18,2)9-5-4-6-10(7-9)19-11(14)15/h4-7,11H,3,8H2,1-2H3,(H2,16,17)
InChIKeyZQXAWSAJXMHDFN-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine (CID 79510829) is 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine is CCN1C(N)=NCC1(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is ZQXAWSAJXMHDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-3-18-12(16)17-8-13(18,2)9-5-4-6-10(7-9)19-11(14)15/h4-7,11H,3,8H2,1-2H3,(H2,16,17).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine?
5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 269.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-1-ethyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79510829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).