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

C8H10F3N3O2 — CID 71019089

IUPAC2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)1-2-14-4-5(3-6(12)15)13-7(14)16/h4H,1-3H2,(H2,12,15)(H,13,16)
InChIKeyYQKPWQWCIKRURJ-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.16
Rot. Bonds4

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

2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide (PubChem CID 71019089) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide
PubChem CID71019089
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)1-2-14-4-5(3-6(12)15)13-7(14)16/h4H,1-3H2,(H2,12,15)(H,13,16)
InChIKeyYQKPWQWCIKRURJ-UHFFFAOYSA-N
XLogP0.16
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
CID 71019097
2-[2-sulfanylidene-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide
CID 71019224
2-[3-(2-fluoroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 89193221
N,N-diethyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629707
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide
CID 23629708
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-dipropylacetamide
CID 23629709
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propan-2-ylacetamide
CID 23629710
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N,N-di(propan-2-yl)acetamide
CID 23629711
N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629712
N,N-dibutyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629713
N-butan-2-yl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629714
N,N-di(butan-2-yl)-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629740

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide?
The IUPAC name of 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide (CID 71019089) is 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide?
The canonical SMILES for 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide is NC(=O)Cc1cn(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]acetamide?
The InChIKey is YQKPWQWCIKRURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)1-2-14-4-5(3-6(12)15)13-7(14)16/h4H,1-3H2,(H2,12,15)(H,13,16).
What are the key properties of 2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide?
2-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide has a molecular weight of 237.18 g/mol, XLogP of 0.16, 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]acetamide is sourced from PubChem (CID 71019089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).