1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one

C15H12F2N4O2 — CID 142677395

IUPAC1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one
SMILESNn1c(-c2cccc(OC(F)F)c2)cc(-n2ccnc2)cc1=O
InChIInChI=1S/C15H12F2N4O2/c16-15(17)23-12-3-1-2-10(6-12)13-7-11(8-14(22)21(13)18)20-5-4-19-9-20/h1-9,15H,18H2
InChIKeyUGKDBELWNTVPHK-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.02
Rot. Bonds4

About 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one

1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one (PubChem CID 142677395) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one
PubChem CID142677395
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one
SMILESNn1c(-c2cccc(OC(F)F)c2)cc(-n2ccnc2)cc1=O
InChIInChI=1S/C15H12F2N4O2/c16-15(17)23-12-3-1-2-10(6-12)13-7-11(8-14(22)21(13)18)20-5-4-19-9-20/h1-9,15H,18H2
InChIKeyUGKDBELWNTVPHK-UHFFFAOYSA-N
XLogP2.02
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one?
The IUPAC name of 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one (CID 142677395) is 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one.
What is the SMILES notation for 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one?
The canonical SMILES for 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one is Nn1c(-c2cccc(OC(F)F)c2)cc(-n2ccnc2)cc1=O.
What is the InChIKey of 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one?
The InChIKey is UGKDBELWNTVPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c16-15(17)23-12-3-1-2-10(6-12)13-7-11(8-14(22)21(13)18)20-5-4-19-9-20/h1-9,15H,18H2.
What are the key properties of 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one?
1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one has a molecular weight of 318.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-[3-(difluoromethoxy)phenyl]-4-imidazol-1-ylpyridin-2-one is sourced from PubChem (CID 142677395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).