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

C22H22F3N3O2 — CID 42650412

IUPACN-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide
SMILESCCCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O
InChIInChI=1S/C22H22F3N3O2/c1-2-9-18(29)26-21(22(23,24)25)20(30)28(15-14-16-10-5-3-6-11-16)19(27-21)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,26,29)
InChIKeyUFTFERPJFOGMOR-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.69
Rot. Bonds7

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

N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide (PubChem CID 42650412) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide
PubChem CID42650412
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC NameN-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide
SMILESCCCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O
InChIInChI=1S/C22H22F3N3O2/c1-2-9-18(29)26-21(22(23,24)25)20(30)28(15-14-16-10-5-3-6-11-16)19(27-21)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,26,29)
InChIKeyUFTFERPJFOGMOR-UHFFFAOYSA-N
XLogP3.69
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide?
The IUPAC name of N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide (CID 42650412) is N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide?
The canonical SMILES for N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is UFTFERPJFOGMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-2-9-18(29)26-21(22(23,24)25)20(30)28(15-14-16-10-5-3-6-11-16)19(27-21)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,26,29).
What are the key properties of N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide?
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]butanamide has a molecular weight of 417.43 g/mol, XLogP of 3.69, 7 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]butanamide is sourced from PubChem (CID 42650412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).