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

C16H16F3N3O3 — CID 16764168

IUPACethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
SMILESC=CCN1C(=O)C(NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H16F3N3O3/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/h3,5-9H,1,4,10H2,2H3,(H,21,24)
InChIKeyVFJISDQQMPHWBN-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.47
Rot. Bonds5

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

ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate (PubChem CID 16764168) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
PubChem CID16764168
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Nameethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
SMILESC=CCN1C(=O)C(NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H16F3N3O3/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/h3,5-9H,1,4,10H2,2H3,(H,21,24)
InChIKeyVFJISDQQMPHWBN-UHFFFAOYSA-N
XLogP2.47
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate 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 ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The IUPAC name of ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate (CID 16764168) is ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate is C=CCN1C(=O)C(NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The InChIKey is VFJISDQQMPHWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/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/h3,5-9H,1,4,10H2,2H3,(H,21,24).
What are the key properties of ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
ethyl N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate has a molecular weight of 355.32 g/mol, XLogP of 2.47, 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-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]carbamate is sourced from PubChem (CID 16764168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).