2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide

C13H8FN5O — CID 66573100

IUPAC2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide
SMILESN#CCC(=O)Nc1c(C#N)ncn1-c1ccc(F)cc1
InChIInChI=1S/C13H8FN5O/c14-9-1-3-10(4-2-9)19-8-17-11(7-16)13(19)18-12(20)5-6-15/h1-4,8H,5H2,(H,18,20)
InChIKeyGFIYSFNYUAKWQF-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.74
Rot. Bonds3

About 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide

2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide (PubChem CID 66573100) has the molecular formula C13H8FN5O and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide
PubChem CID66573100
Molecular FormulaC13H8FN5O
Molecular Weight269.24 g/mol
Exact Mass269.07
IUPAC Name2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide
SMILESN#CCC(=O)Nc1c(C#N)ncn1-c1ccc(F)cc1
InChIInChI=1S/C13H8FN5O/c14-9-1-3-10(4-2-9)19-8-17-11(7-16)13(19)18-12(20)5-6-15/h1-4,8H,5H2,(H,18,20)
InChIKeyGFIYSFNYUAKWQF-UHFFFAOYSA-N
XLogP1.74
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide (CID 66573100) is 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide is N#CCC(=O)Nc1c(C#N)ncn1-c1ccc(F)cc1.
What is the InChIKey of 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide?
The InChIKey is GFIYSFNYUAKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5O/c14-9-1-3-10(4-2-9)19-8-17-11(7-16)13(19)18-12(20)5-6-15/h1-4,8H,5H2,(H,18,20).
What are the key properties of 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide?
2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide has a molecular weight of 269.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide is sourced from PubChem (CID 66573100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).