2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide

C10H14F3N3O2 — CID 71019091

IUPAC2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
SMILESCc1c(C(C)C(N)=O)[nH]c(=O)n1CCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-5(8(14)17)7-6(2)16(9(18)15-7)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyNQEVJRXSAKIGSB-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.03
Rot. Bonds4

About 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide

2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide (PubChem CID 71019091) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
PubChem CID71019091
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
SMILESCc1c(C(C)C(N)=O)[nH]c(=O)n1CCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-5(8(14)17)7-6(2)16(9(18)15-7)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyNQEVJRXSAKIGSB-UHFFFAOYSA-N
XLogP1.03
TPSA80.88 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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-ethyl-3-(2-fluoroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 71019096
2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
CID 71019097
2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]-3-methoxypropanamide
CID 71019103
2-[3-(2-fluoroethyl)-4-methyl-2-oxo-1H-imidazol-5-yl]butanamide
CID 71019106
2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
CID 71019129
(2S)-2-[6-methyl-2-oxo-3-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-1,3-diazepin-7-yl]propanamide
CID 71019151
2-[4-methyl-2-sulfanylidene-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
CID 71019219
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 112527706
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(3,3,3-trifluoropropyl)propanamide
CID 112527773
2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 71019094

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
The IUPAC name of 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide (CID 71019091) is 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide.
What is the SMILES notation for 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
The canonical SMILES for 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide is Cc1c(C(C)C(N)=O)[nH]c(=O)n1CCC(F)(F)F.
What is the InChIKey of 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
The InChIKey is NQEVJRXSAKIGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-5(8(14)17)7-6(2)16(9(18)15-7)4-3-10(11,12)13/h5H,3-4H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide has a molecular weight of 265.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide is sourced from PubChem (CID 71019091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).