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

C17H16F3N3O2 — CID 16764288

IUPACN-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESC=CCN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C17H16F3N3O2/c1-2-10-23-13(11-6-4-3-5-7-11)21-16(15(23)25,17(18,19)20)22-14(24)12-8-9-12/h2-7,12H,1,8-10H2,(H,22,24)
InChIKeySVMNKKANYGDMAI-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.25
Rot. Bonds5

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

N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (PubChem CID 16764288) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
PubChem CID16764288
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESC=CCN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C17H16F3N3O2/c1-2-10-23-13(11-6-4-3-5-7-11)21-16(15(23)25,17(18,19)20)22-14(24)12-8-9-12/h2-7,12H,1,8-10H2,(H,22,24)
InChIKeySVMNKKANYGDMAI-UHFFFAOYSA-N
XLogP2.25
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (CID 16764288) is N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is C=CCN1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The InChIKey is SVMNKKANYGDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-2-10-23-13(11-6-4-3-5-7-11)21-16(15(23)25,17(18,19)20)22-14(24)12-8-9-12/h2-7,12H,1,8-10H2,(H,22,24).
What are the key properties of N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.25, 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-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 16764288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).