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

C10H14F3N3O2 — CID 112527706

IUPAC3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1[nH]c(=O)n(CCC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O2/c1-6-7(2)16(9(18)15-6)4-3-8(17)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyRSLWOQBZNBOUFL-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.86
Rot. Bonds4

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

3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 112527706) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID112527706
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1[nH]c(=O)n(CCC(=O)NCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O2/c1-6-7(2)16(9(18)15-6)4-3-8(17)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyRSLWOQBZNBOUFL-UHFFFAOYSA-N
XLogP0.86
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.86
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-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 112527706) is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1[nH]c(=O)n(CCC(=O)NCC(F)(F)F)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RSLWOQBZNBOUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6-7(2)16(9(18)15-6)4-3-8(17)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 265.23 g/mol, XLogP of 0.86, 4 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-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 112527706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).