5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine

C15H19F2N3O — CID 62226765

IUPAC5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine
SMILESCCCn1c(CC)nc(-c2ccccc2OC(F)F)c1N
InChIInChI=1S/C15H19F2N3O/c1-3-9-20-12(4-2)19-13(14(20)18)10-7-5-6-8-11(10)21-15(16)17/h5-8,15H,3-4,9,18H2,1-2H3
InChIKeyJUQTZBGUVMVSLR-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.71
Rot. Bonds6

About 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine

5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine (PubChem CID 62226765) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine
PubChem CID62226765
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine
SMILESCCCn1c(CC)nc(-c2ccccc2OC(F)F)c1N
InChIInChI=1S/C15H19F2N3O/c1-3-9-20-12(4-2)19-13(14(20)18)10-7-5-6-8-11(10)21-15(16)17/h5-8,15H,3-4,9,18H2,1-2H3
InChIKeyJUQTZBGUVMVSLR-UHFFFAOYSA-N
XLogP3.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine (CID 62226765) is 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine is CCCn1c(CC)nc(-c2ccccc2OC(F)F)c1N.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine?
The InChIKey is JUQTZBGUVMVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-9-20-12(4-2)19-13(14(20)18)10-7-5-6-8-11(10)21-15(16)17/h5-8,15H,3-4,9,18H2,1-2H3.
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine?
5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine has a molecular weight of 295.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-2-ethyl-3-propylimidazol-4-amine is sourced from PubChem (CID 62226765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).