2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide

C8H10F3N3O — CID 18722255

IUPAC2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccnc1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7(15)13-2-1-4-14-5-3-12-6-14/h3,5-6H,1-2,4H2,(H,13,15)
InChIKeyYVZPVKMEINITRH-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.95
Rot. Bonds4

About 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide

2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 18722255) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID18722255
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(NCCCn1ccnc1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7(15)13-2-1-4-14-5-3-12-6-14/h3,5-6H,1-2,4H2,(H,13,15)
InChIKeyYVZPVKMEINITRH-UHFFFAOYSA-N
XLogP0.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(Heptafluorobutyryl)imidazole
CID 94431
2-(2-nitro-1H-imidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide
CID 389053
1-(Trifluoroacetyl)imidazole
CID 73767
1-(2,2,3,3,3-Pentafluoro-1-oxopropyl)-1H-imidazole
CID 100821
N-(4-imidazol-1-ylbut-2-ynyl)-N-methylacetamide
CID 15065557
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 659695
2,2,3,3-tetrafluoro-N,N'-bis[3-(1H-imidazol-1-yl)propyl]succinamide
CID 2932359
1-(3-(1H-imidazol-1-yl)propyl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
CID 659593
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide (CID 18722255) is 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide is O=C(NCCCn1ccnc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is YVZPVKMEINITRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)7(15)13-2-1-4-14-5-3-12-6-14/h3,5-6H,1-2,4H2,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide?
2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 221.18 g/mol, XLogP of 0.95, 4 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-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 18722255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).