2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide

C26H22F3N3O — CID 142032314

IUPAC2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H22F3N3O/c1-19(31-24(33)26(27,28)29)23-17-32(18-30-23)25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19H,1H3,(H,31,33)
InChIKeyVSXRQNLCSWVZSM-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.46
Rot. Bonds6

About 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide (PubChem CID 142032314) has the molecular formula C26H22F3N3O and a molecular weight of 449.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide
PubChem CID142032314
Molecular FormulaC26H22F3N3O
Molecular Weight449.48 g/mol
Exact Mass449.17
IUPAC Name2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H22F3N3O/c1-19(31-24(33)26(27,28)29)23-17-32(18-30-23)25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19H,1H3,(H,31,33)
InChIKeyVSXRQNLCSWVZSM-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
CID 118525688
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid
CID 10951350
1-tritylimidazole-4-carboxylic acid
CID 10570117
2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde
CID 87249533
methyl (2S)-2-methyl-3-(1-tritylimidazol-4-yl)propanoate
CID 155065705
(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid
CID 98008916
(3,4-dimethylphenyl)-(1-tritylimidazol-4-yl)methanol
CID 146311360
tert-butyl 4-[2-hydroxy-1-(1-tritylimidazol-4-yl)ethyl]piperidine-1-carboxylate
CID 46929445
1-(1-tritylimidazol-4-yl)propan-2-ol
CID 139755618
ethane;4-methyl-2-(1-tritylimidazol-4-yl)pentanenitrile
CID 142002582
(2S)-2-amino-3-methylbutanoic acid;4-iodo-1-tritylimidazole
CID 67277954
(2S)-2-(methylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
CID 71173435

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide (CID 142032314) is 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide is CC(NC(=O)C(F)(F)F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide?
The InChIKey is VSXRQNLCSWVZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O/c1-19(31-24(33)26(27,28)29)23-17-32(18-30-23)25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19H,1H3,(H,31,33).
What are the key properties of 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide has a molecular weight of 449.48 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(1-tritylimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 142032314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).