2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide

C11H8F3N3O — CID 62733559

IUPAC2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10(18)17-8-3-1-7(2-4-8)9-5-15-6-16-9/h1-6H,(H,15,16)(H,17,18)
InChIKeyIVOGFJXUOJDYLL-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.58
Rot. Bonds2

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

2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide (PubChem CID 62733559) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
PubChem CID62733559
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2cnc[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10(18)17-8-3-1-7(2-4-8)9-5-15-6-16-9/h1-6H,(H,15,16)(H,17,18)
InChIKeyIVOGFJXUOJDYLL-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 43709091
4-[4-(1H-imidazol-5-yl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302307
4-(1H-imidazol-5-yl)benzoic acid
CID 18617688
N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
CID 60666058
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674
4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 55206350
(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
CID 104902852
3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518337

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide (CID 62733559) is 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide is O=C(Nc1ccc(-c2cnc[nH]2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The InChIKey is IVOGFJXUOJDYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)10(18)17-8-3-1-7(2-4-8)9-5-15-6-16-9/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide has a molecular weight of 255.20 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 62733559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).