2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide

C11H9F3N4O — CID 121273554

IUPAC2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide
SMILESO=C(Cn1ccnc1)N(c1ccncc1)C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)18(9-1-3-15-4-2-9)10(19)7-17-6-5-16-8-17/h1-6,8H,7H2
InChIKeySCGMEBZBPPTXIX-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.83
Rot. Bonds3

About 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide

2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide (PubChem CID 121273554) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide
PubChem CID121273554
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide
SMILESO=C(Cn1ccnc1)N(c1ccncc1)C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)18(9-1-3-15-4-2-9)10(19)7-17-6-5-16-8-17/h1-6,8H,7H2
InChIKeySCGMEBZBPPTXIX-UHFFFAOYSA-N
XLogP1.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)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-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide?
The IUPAC name of 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide (CID 121273554) is 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide is O=C(Cn1ccnc1)N(c1ccncc1)C(F)(F)F.
What is the InChIKey of 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide?
The InChIKey is SCGMEBZBPPTXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)18(9-1-3-15-4-2-9)10(19)7-17-6-5-16-8-17/h1-6,8H,7H2.
What are the key properties of 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide?
2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide has a molecular weight of 270.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-pyridin-4-yl-N-(trifluoromethyl)acetamide is sourced from PubChem (CID 121273554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).