1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one

C12H11F2N5O — CID 122441046

IUPAC1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C12H11F2N5O/c13-9-2-1-3-10(14)8(9)6-18-7-11(16-17-18)19-5-4-15-12(19)20/h1-3,7H,4-6H2,(H,15,20)
InChIKeyZUASMCSOQJBASC-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.13
Rot. Bonds3

About 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one

1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one (PubChem CID 122441046) has the molecular formula C12H11F2N5O and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one
PubChem CID122441046
Molecular FormulaC12H11F2N5O
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C12H11F2N5O/c13-9-2-1-3-10(14)8(9)6-18-7-11(16-17-18)19-5-4-15-12(19)20/h1-3,7H,4-6H2,(H,15,20)
InChIKeyZUASMCSOQJBASC-UHFFFAOYSA-N
XLogP1.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one (CID 122441046) is 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one is O=C1NCCN1c1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one?
The InChIKey is ZUASMCSOQJBASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O/c13-9-2-1-3-10(14)8(9)6-18-7-11(16-17-18)19-5-4-15-12(19)20/h1-3,7H,4-6H2,(H,15,20).
What are the key properties of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one?
1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one has a molecular weight of 279.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 122441046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).