N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide

C20H24F3N3O2 — CID 16764273

IUPACN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O
InChIInChI=1S/C20H24F3N3O2/c1-18(2,3)16(27)25-19(20(21,22)23)17(28)26(14-11-7-8-12-14)15(24-19)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,25,27)
InChIKeyPLEBDJGYXYYDHK-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.64
Rot. Bonds3

About N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide

N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 16764273) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
PubChem CID16764273
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O
InChIInChI=1S/C20H24F3N3O2/c1-18(2,3)16(27)25-19(20(21,22)23)17(28)26(14-11-7-8-12-14)15(24-19)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,25,27)
InChIKeyPLEBDJGYXYYDHK-UHFFFAOYSA-N
XLogP3.64
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide (CID 16764273) is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O.
What is the InChIKey of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is PLEBDJGYXYYDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-18(2,3)16(27)25-19(20(21,22)23)17(28)26(14-11-7-8-12-14)15(24-19)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,25,27).
What are the key properties of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide?
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 395.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16764273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).