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

C22H22F3N3O2 — CID 17344371

IUPAC2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCC(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C22H22F3N3O2/c1-14(2)19(29)27-21(22(23,24)25)20(30)28(15(3)16-10-6-4-7-11-16)18(26-21)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,27,29)
InChIKeyKPTWKAYZGMVKLL-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.07
Rot. Bonds5

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

2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide (PubChem CID 17344371) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
PubChem CID17344371
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESCC(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C22H22F3N3O2/c1-14(2)19(29)27-21(22(23,24)25)20(30)28(15(3)16-10-6-4-7-11-16)18(26-21)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,27,29)
InChIKeyKPTWKAYZGMVKLL-UHFFFAOYSA-N
XLogP4.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide (CID 17344371) is 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide is CC(C)C(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(C(C)c2ccccc2)C1=O.
What is the InChIKey of 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The InChIKey is KPTWKAYZGMVKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-14(2)19(29)27-21(22(23,24)25)20(30)28(15(3)16-10-6-4-7-11-16)18(26-21)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,27,29).
What are the key properties of 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide?
2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide has a molecular weight of 417.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-oxo-2-phenyl-1-(1-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]propanamide is sourced from PubChem (CID 17344371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).