3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide

C11H16F3N3O2 — CID 112527773

IUPAC3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESCc1[nH]c(=O)n(CCC(=O)NCCC(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O2/c1-7-8(2)17(10(19)16-7)6-3-9(18)15-5-4-11(12,13)14/h3-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyXQZNQXWHGKPLLV-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.25
Rot. Bonds5

About 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide

3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 112527773) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID112527773
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
SMILESCc1[nH]c(=O)n(CCC(=O)NCCC(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O2/c1-7-8(2)17(10(19)16-7)6-3-9(18)15-5-4-11(12,13)14/h3-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyXQZNQXWHGKPLLV-UHFFFAOYSA-N
XLogP1.25
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide (CID 112527773) is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide is Cc1[nH]c(=O)n(CCC(=O)NCCC(F)(F)F)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is XQZNQXWHGKPLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7-8(2)17(10(19)16-7)6-3-9(18)15-5-4-11(12,13)14/h3-6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide?
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 279.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 112527773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).