N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide

C9H5F12N3O — CID 160551596

IUPACN-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESCC(=O)NC1=NC(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F12N3O/c1-2(25)22-3-4(6(10,11)12,7(13,14)15)24-5(23-3,8(16,17)18)9(19,20)21/h24H,1H3,(H,22,23,25)
InChIKeyQYDLFJBRQHVOOC-UHFFFAOYSA-N
MW399.14 g/mol
LogP2.81
Rot. Bonds

About N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide

N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide (PubChem CID 160551596) has the molecular formula C9H5F12N3O and a molecular weight of 399.14 g/mol. Its IUPAC name is N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
PubChem CID160551596
Molecular FormulaC9H5F12N3O
Molecular Weight399.14 g/mol
Exact Mass399.02
IUPAC NameN-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESCC(=O)NC1=NC(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F12N3O/c1-2(25)22-3-4(6(10,11)12,7(13,14)15)24-5(23-3,8(16,17)18)9(19,20)21/h24H,1H3,(H,22,23,25)
InChIKeyQYDLFJBRQHVOOC-UHFFFAOYSA-N
XLogP2.81
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.14
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2,2,5,5-tetrakis(trifluoromethyl)imidazolidin-4-ylidene]acetamide
CID 154111651
2-chloro-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
CID 154135147
2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
CID 154314160
4,4-dimethyl-2-(3,3,3-trifluoropropyl)-1H-imidazol-5-one
CID 106953284
4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one
CID 106953450

Frequently Asked Questions

What is the IUPAC name of N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The IUPAC name of N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide (CID 160551596) is N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide.
What is the SMILES notation for N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The canonical SMILES for N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide is CC(=O)NC1=NC(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The InChIKey is QYDLFJBRQHVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F12N3O/c1-2(25)22-3-4(6(10,11)12,7(13,14)15)24-5(23-3,8(16,17)18)9(19,20)21/h24H,1H3,(H,22,23,25).
What are the key properties of N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide has a molecular weight of 399.14 g/mol, XLogP of 2.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide is sourced from PubChem (CID 160551596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).