2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide

C12H11F2N3O — CID 82559835

IUPAC2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1ccnc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H11F2N3O/c1-7(11(15)18)17-3-2-16-12(17)8-4-9(13)6-10(14)5-8/h2-7H,1H3,(H2,15,18)
InChIKeyCLMAQNQURNKBMV-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide

2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide (PubChem CID 82559835) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide
PubChem CID82559835
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1ccnc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H11F2N3O/c1-7(11(15)18)17-3-2-16-12(17)8-4-9(13)6-10(14)5-8/h2-7H,1H3,(H2,15,18)
InChIKeyCLMAQNQURNKBMV-UHFFFAOYSA-N
XLogP1.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide (CID 82559835) is 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide is CC(C(N)=O)n1ccnc1-c1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide?
The InChIKey is CLMAQNQURNKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7(11(15)18)17-3-2-16-12(17)8-4-9(13)6-10(14)5-8/h2-7H,1H3,(H2,15,18).
What are the key properties of 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide?
2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide has a molecular weight of 251.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 82559835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).