N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide

C8H12FN3O — CID 44626128

IUPACN-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NCC[18F]
InChIInChI=1S/C8H12FN3O/c1-7-10-4-5-12(7)6-8(13)11-3-2-9/h4-5H,2-3,6H2,1H3,(H,11,13)/i9-1
InChIKeyWNMAZHUFXFAQAB-RVRFMXCPSA-N
MW184.20 g/mol
LogP0.28
Rot. Bonds4

About N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide

N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 44626128) has the molecular formula C8H12FN3O and a molecular weight of 184.20 g/mol. Its IUPAC name is N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
PubChem CID44626128
Molecular FormulaC8H12FN3O
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NCC[18F]
InChIInChI=1S/C8H12FN3O/c1-7-10-4-5-12(7)6-8(13)11-3-2-9/h4-5H,2-3,6H2,1H3,(H,11,13)/i9-1
InChIKeyWNMAZHUFXFAQAB-RVRFMXCPSA-N
XLogP0.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
3-methyl-1-(2-methylimidazol-1-yl)butan-2-one
CID 79395102
4-methyl-1-(2-methylimidazol-1-yl)pent-3-en-2-one
CID 131186404
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992
2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 62222646
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide
CID 166370408

Frequently Asked Questions

What is the IUPAC name of N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide (CID 44626128) is N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide is Cc1nccn1CC(=O)NCC[18F].
What is the InChIKey of N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is WNMAZHUFXFAQAB-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-7-10-4-5-12(7)6-8(13)11-3-2-9/h4-5H,2-3,6H2,1H3,(H,11,13)/i9-1.
What are the key properties of N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide?
N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 184.20 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 44626128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).