2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide

C13H8F2N6O — CID 75402738

IUPAC2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESN#Cc1nc(N)n(CC(=O)Nc2ccc(F)cc2F)c1C#N
InChIInChI=1S/C13H8F2N6O/c14-7-1-2-9(8(15)3-7)19-12(22)6-21-11(5-17)10(4-16)20-13(21)18/h1-3H,6H2,(H2,18,20)(H,19,22)
InChIKeyHULYKMPVGULPFJ-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.13
Rot. Bonds3

About 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide

2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 75402738) has the molecular formula C13H8F2N6O and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID75402738
Molecular FormulaC13H8F2N6O
Molecular Weight302.24 g/mol
Exact Mass302.07
IUPAC Name2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide
SMILESN#Cc1nc(N)n(CC(=O)Nc2ccc(F)cc2F)c1C#N
InChIInChI=1S/C13H8F2N6O/c14-7-1-2-9(8(15)3-7)19-12(22)6-21-11(5-17)10(4-16)20-13(21)18/h1-3H,6H2,(H2,18,20)(H,19,22)
InChIKeyHULYKMPVGULPFJ-UHFFFAOYSA-N
XLogP1.13
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide (CID 75402738) is 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide is N#Cc1nc(N)n(CC(=O)Nc2ccc(F)cc2F)c1C#N.
What is the InChIKey of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is HULYKMPVGULPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N6O/c14-7-1-2-9(8(15)3-7)19-12(22)6-21-11(5-17)10(4-16)20-13(21)18/h1-3H,6H2,(H2,18,20)(H,19,22).
What are the key properties of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide?
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 302.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 75402738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).