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

C16H18F3N3O3 — CID 16764166

IUPACethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
SMILESCCCN1C(=O)C(NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H18F3N3O3/c1-3-10-22-12(11-8-6-5-7-9-11)20-15(13(22)23,16(17,18)19)21-14(24)25-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,24)
InChIKeyALWYYGGYLDBHAF-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.69
Rot. Bonds5

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

ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate (PubChem CID 16764166) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
PubChem CID16764166
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Nameethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
SMILESCCCN1C(=O)C(NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H18F3N3O3/c1-3-10-22-12(11-8-6-5-7-9-11)20-15(13(22)23,16(17,18)19)21-14(24)25-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,24)
InChIKeyALWYYGGYLDBHAF-UHFFFAOYSA-N
XLogP2.69
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The IUPAC name of ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate (CID 16764166) is ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate is CCCN1C(=O)C(NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The InChIKey is ALWYYGGYLDBHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-3-10-22-12(11-8-6-5-7-9-11)20-15(13(22)23,16(17,18)19)21-14(24)25-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,24).
What are the key properties of ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate has a molecular weight of 357.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]carbamate is sourced from PubChem (CID 16764166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).