N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide

C21H20F3N3O2 — CID 17087955

IUPACN-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O
InChIInChI=1S/C21H20F3N3O2/c1-2-17(28)25-20(21(22,23)24)19(29)27(14-13-15-9-5-3-6-10-15)18(26-20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,25,28)
InChIKeyDKDQLCVKRZTGJU-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.30
Rot. Bonds6

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

N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide (PubChem CID 17087955) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
PubChem CID17087955
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O
InChIInChI=1S/C21H20F3N3O2/c1-2-17(28)25-20(21(22,23)24)19(29)27(14-13-15-9-5-3-6-10-15)18(26-20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,25,28)
InChIKeyDKDQLCVKRZTGJU-UHFFFAOYSA-N
XLogP3.30
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Carbamimidoyl-benzyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10273521
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methylbenzamide
CID 15987557
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-fluorobenzamide
CID 16426770
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-fluorobenzamide
CID 15987553
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
CID 2962120
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-fluorobenzamide
CID 2962171
N-(5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl)acetamide
CID 4517647
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methylbenzamide
CID 15987552
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
CID 15987555
(5S)-2-phenyl-N-tetradecyl-4,5-dihydro-1H-imidazole-5-carboxamide
CID 44586599
(5S)-N-hexadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
CID 44586600
(5S)-N-[(E)-octadec-8-enyl]-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
CID 44586602

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The IUPAC name of N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide (CID 17087955) is N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The canonical SMILES for N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide is CCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O.
What is the InChIKey of N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The InChIKey is DKDQLCVKRZTGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-2-17(28)25-20(21(22,23)24)19(29)27(14-13-15-9-5-3-6-10-15)18(26-20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,25,28).
What are the key properties of N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide has a molecular weight of 403.40 g/mol, XLogP of 3.30, 6 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-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide is sourced from PubChem (CID 17087955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).