3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C9H12F3N3O2 — CID 103726458

IUPAC3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCn1ccnc1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)7(16)5-14-8(17)1-3-15-4-2-13-6-15/h2,4,6-7,16H,1,3,5H2,(H,14,17)
InChIKeyZFZXAWPQPHRSID-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.31
Rot. Bonds5

About 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103726458) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103726458
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCn1ccnc1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)7(16)5-14-8(17)1-3-15-4-2-13-6-15/h2,4,6-7,16H,1,3,5H2,(H,14,17)
InChIKeyZFZXAWPQPHRSID-UHFFFAOYSA-N
XLogP0.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide 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 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103726458) is 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is O=C(CCn1ccnc1)NCC(O)C(F)(F)F.
What is the InChIKey of 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is ZFZXAWPQPHRSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)7(16)5-14-8(17)1-3-15-4-2-13-6-15/h2,4,6-7,16H,1,3,5H2,(H,14,17).
What are the key properties of 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 251.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103726458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).