2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide

C11H12F6N4O2 — CID 136560351

IUPAC2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide
SMILESCC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H12F6N4O2/c1-9(2,21-8(23)11(15,16)17)7(22)19-4-6-18-3-5(20-6)10(12,13)14/h3H,4H2,1-2H3,(H,18,20)(H,19,22)(H,21,23)
InChIKeyUWCADWLQXSUEJI-UHFFFAOYSA-N
MW346.23 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide

2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide (PubChem CID 136560351) has the molecular formula C11H12F6N4O2 and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide
PubChem CID136560351
Molecular FormulaC11H12F6N4O2
Molecular Weight346.23 g/mol
Exact Mass346.09
IUPAC Name2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide
SMILESCC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H12F6N4O2/c1-9(2,21-8(23)11(15,16)17)7(22)19-4-6-18-3-5(20-6)10(12,13)14/h3H,4H2,1-2H3,(H,18,20)(H,19,22)(H,21,23)
InChIKeyUWCADWLQXSUEJI-UHFFFAOYSA-N
XLogP1.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
The IUPAC name of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide (CID 136560351) is 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide is CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
The InChIKey is UWCADWLQXSUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N4O2/c1-9(2,21-8(23)11(15,16)17)7(22)19-4-6-18-3-5(20-6)10(12,13)14/h3H,4H2,1-2H3,(H,18,20)(H,19,22)(H,21,23).
What are the key properties of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide has a molecular weight of 346.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 136560351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).