N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide

C16H18F3N3O2 — CID 17087953

IUPACN-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCCCN1C(=O)C(NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H18F3N3O2/c1-3-10-22-13(11-8-6-5-7-9-11)21-15(14(22)24,16(17,18)19)20-12(23)4-2/h5-9H,3-4,10H2,1-2H3,(H,20,23)
InChIKeyDIWWJRQCCRULNI-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.47
Rot. Bonds5

About N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide

N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide (PubChem CID 17087953) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
PubChem CID17087953
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCCCN1C(=O)C(NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H18F3N3O2/c1-3-10-22-13(11-8-6-5-7-9-11)21-15(14(22)24,16(17,18)19)20-12(23)4-2/h5-9H,3-4,10H2,1-2H3,(H,20,23)
InChIKeyDIWWJRQCCRULNI-UHFFFAOYSA-N
XLogP2.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The IUPAC name of N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide (CID 17087953) is N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The canonical SMILES for N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide is CCCN1C(=O)C(NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The InChIKey is DIWWJRQCCRULNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-3-10-22-13(11-8-6-5-7-9-11)21-15(14(22)24,16(17,18)19)20-12(23)4-2/h5-9H,3-4,10H2,1-2H3,(H,20,23).
What are the key properties of N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide has a molecular weight of 341.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide is sourced from PubChem (CID 17087953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).