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

C9H12F3N3O2 — CID 71019097

IUPAC2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
SMILESCC(C(N)=O)c1cn(CCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C9H12F3N3O2/c1-5(7(13)16)6-4-15(8(17)14-6)3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,16)(H,14,17)
InChIKeyKBIOVQHBVUEIPS-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.72
Rot. Bonds4

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

2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide (PubChem CID 71019097) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
PubChem CID71019097
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
SMILESCC(C(N)=O)c1cn(CCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C9H12F3N3O2/c1-5(7(13)16)6-4-15(8(17)14-6)3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,16)(H,14,17)
InChIKeyKBIOVQHBVUEIPS-UHFFFAOYSA-N
XLogP0.72
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
The IUPAC name of 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide (CID 71019097) is 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide.
What is the SMILES notation for 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
The canonical SMILES for 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide is CC(C(N)=O)c1cn(CCC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
The InChIKey is KBIOVQHBVUEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-5(7(13)16)6-4-15(8(17)14-6)3-2-9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide?
2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide has a molecular weight of 251.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide is sourced from PubChem (CID 71019097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).