2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide

C7H9F3N4O — CID 79811342

IUPAC2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-6(11,7(8,9)10)4(15)14-5-12-2-3-13-5/h2-3H,11H2,1H3,(H2,12,13,14,15)
InChIKeyORZSNXJVNLHNEH-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide (PubChem CID 79811342) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide
PubChem CID79811342
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-6(11,7(8,9)10)4(15)14-5-12-2-3-13-5/h2-3H,11H2,1H3,(H2,12,13,14,15)
InChIKeyORZSNXJVNLHNEH-UHFFFAOYSA-N
XLogP0.63
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide (CID 79811342) is 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide is CC(N)(C(=O)Nc1ncc[nH]1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide?
The InChIKey is ORZSNXJVNLHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-6(11,7(8,9)10)4(15)14-5-12-2-3-13-5/h2-3H,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide has a molecular weight of 222.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 79811342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).