N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide

C17H18F3N3O2 — CID 2968524

IUPACN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O)C1CCCCC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16(23-14(24)12-9-5-2-6-10-12)15(25)21-13(22-16)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,23,24)(H,21,22,25)
InChIKeyZLVXPTGTEODRDW-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.52
Rot. Bonds3

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

N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide (PubChem CID 2968524) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide
PubChem CID2968524
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O)C1CCCCC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)16(23-14(24)12-9-5-2-6-10-12)15(25)21-13(22-16)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,23,24)(H,21,22,25)
InChIKeyZLVXPTGTEODRDW-UHFFFAOYSA-N
XLogP2.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide (CID 2968524) is N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O)C1CCCCC1.
What is the InChIKey of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide?
The InChIKey is ZLVXPTGTEODRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)16(23-14(24)12-9-5-2-6-10-12)15(25)21-13(22-16)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,23,24)(H,21,22,25).
What are the key properties of N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide?
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide has a molecular weight of 353.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2968524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).