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

C15H16F3N3O2 — CID 5045243

IUPAC3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C15H16F3N3O2/c1-9(2)8-11(22)20-14(15(16,17)18)13(23)19-12(21-14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyQIZPRFKGOOWMMR-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.98
Rot. Bonds4

About 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide

3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide (PubChem CID 5045243) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide
PubChem CID5045243
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C15H16F3N3O2/c1-9(2)8-11(22)20-14(15(16,17)18)13(23)19-12(21-14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyQIZPRFKGOOWMMR-UHFFFAOYSA-N
XLogP1.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl [5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 2978721
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
CID 2962120
N-(5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl)acetamide
CID 4517647
N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]acetamide
CID 2979464
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
CID 17087952
4-Hydroxy-2-phenyl-4-trifluoromethyl-2-imidazolin-5-one
CID 13697438
4-Chloro-2-phenyl-4-trifluoromethyl-2-imidazolin-5-one
CID 14926297
4-Isothiocyanato-2-phenyl-4-trifluoromethyl-2-imidazolin-5-one
CID 14926298
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]cyclohexanecarboxamide
CID 2968524
(5-Oxo-2-p-tolyl-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-yl)carbamic acid, ethyl ester
CID 4363657
N-[5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
CID 4407638
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]cyclohexanecarboxamide
CID 16764082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide (CID 5045243) is 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide is CC(C)CC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O.
What is the InChIKey of 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide?
The InChIKey is QIZPRFKGOOWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9(2)8-11(22)20-14(15(16,17)18)13(23)19-12(21-14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide?
3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide has a molecular weight of 327.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]butanamide is sourced from PubChem (CID 5045243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).