2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide

C9H7F6N3O2 — CID 605350

IUPAC2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide
SMILESO=C(NCCc1cnc(C(=O)C(F)(F)F)[nH]1)C(F)(F)F
InChIInChI=1S/C9H7F6N3O2/c10-8(11,12)5(19)6-17-3-4(18-6)1-2-16-7(20)9(13,14)15/h3H,1-2H2,(H,16,20)(H,17,18)
InChIKeyCRZARVIBXPACBC-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.38
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide (PubChem CID 605350) has the molecular formula C9H7F6N3O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide
PubChem CID605350
Molecular FormulaC9H7F6N3O2
Molecular Weight303.16 g/mol
Exact Mass303.04
IUPAC Name2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide
SMILESO=C(NCCc1cnc(C(=O)C(F)(F)F)[nH]1)C(F)(F)F
InChIInChI=1S/C9H7F6N3O2/c10-8(11,12)5(19)6-17-3-4(18-6)1-2-16-7(20)9(13,14)15/h3H,1-2H2,(H,16,20)(H,17,18)
InChIKeyCRZARVIBXPACBC-UHFFFAOYSA-N
XLogP1.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetylhistamine
CID 69602
Carcinine
CID 2574
US11845740, No I
CID 86566962
2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 313140
N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide
CID 14712105
Glycylhistamine
CID 191910
Glycylglycylhistamine
CID 65232096
2-Formylhistamine
CID 541600
N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
CID 595678
Histamine, N'-heptafluorobutyryl-
CID 85977786
Histamine, N'-pentafluoropropionyl-
CID 91700451
Histamine, N,N'-di(trifluoroacetyl)-
CID 91730492

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide (CID 605350) is 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide is O=C(NCCc1cnc(C(=O)C(F)(F)F)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide?
The InChIKey is CRZARVIBXPACBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3O2/c10-8(11,12)5(19)6-17-3-4(18-6)1-2-16-7(20)9(13,14)15/h3H,1-2H2,(H,16,20)(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide has a molecular weight of 303.16 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-(2,2,2-trifluoroacetyl)-1H-imidazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 605350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).