N-Acetylhistamine

Details

• Internal ID: 66b62b9b-c539-4484-9916-2ffef733ded7
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Acetamides > N-acetyl-2-arylethylamines
• IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]acetamide
• SMILES (Canonical): CC(=O)NCCC1=CN=CN1
• SMILES (Isomeric): CC(=O)NCCC1=CN=CN1
• InChI: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
• InChI Key: XJWPISBUKWZALE-UHFFFAOYSA-N
• Popularity: 133 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₁N₃O
• Molecular Weight: 153.18 g/mol
• Exact Mass: 153.090211983 g/mol
• Topological Polar Surface Area (TPSA): 57.80 Ų
• XlogP: -0.40

Synonyms

• N-omega-Acetylhistamine
• 673-49-4
• Acetylhistamine
• N-[2-(1H-Imidazol-4-yl)ethyl]acetamide
• N'-Acetylhistamine
• Nomega-Acetylhistamine
• Acetamide, N-(2-imidazol-4-ylethyl)-
• 4-(beta-Acetylaminoethyl)imidazole
• 4-(2-acetamidoethyl)imidazole
• 4-(2-acetylaminoethyl)imidazole
• N-[2-(1H-imidazol-5-yl)ethyl]acetamide
• alpha-N-acetylhistamine
• N-.omega.-Acetylhistamine
• N-(2-(Imidazol-4-yl)ethyl)acetamide
• N-(2-(1H-Imidazol-4-yl)ethyl)acetamide
• E65S46EBQ6
• Imidazole C-4(5) deriv. 1
• CHEBI:28483
• Acetamide, N-(2-(1H-imidazol-4-yl)ethyl)-
• Acetamide, N-[2-(1H-imidazol-4-yl)ethyl]-
• NSC-66356
• N-w-acetylhistamine (AH)
• AHN
• Acetamide, N-[2-(1H-imidazol-5-yl)ethyl]-
• N-(2-(1H-IMIDAZOL-5-YL)ETHYL)ACETAMIDE
• ACETAMIDE, N-(2-(1H-IMIDAZOL-5-YL)ETHYL)-
• 2afw
• EINECS 211-610-3
• Acetylhistamine, N-
• NSC 66356
• Nalpha-acetylhistamine
• omega-N-acetylhistamine
• 3pb8
• N omega -Acetylhistamine
• N.omega.-Acetylhistamine
• N-Omega-acetyl-Histamine
• Histamine, N-omega-acetyl-
• UNII-E65S46EBQ6
• MLS001074877
• Nomega-Acetylhistamine, 98%
• SCHEMBL514228
• BDBM7949
• CHEMBL1230893
• SCHEMBL12999042
• DTXSID40217670
• XJWPISBUKWZALE-UHFFFAOYSA-N
• HMS2269C24
• NSC66356
• CCG-55819
• N-(2-Imidazol-4-ylethyl)-Acetamide
• AKOS002808012
• AKOS015902389
• DB04622
• NCGC00247012-01
• SMR000112242
• N-[2-(3H-imidazol-4-yl)ethyl]acetamide
• HY-112175
• N-[2-(1H-Imidazol-4-yl)ethyl]-Acetamide
• CS-0043607
• FT-0693681
• N-[2-(1H-Imidazol-4-yl)ethyl]acetamide #
• n-[2-(3h-imidazol-4-yl)-ethyl]-acetamide
• Acetamide, N-(2-imidazol-4-ylethyl)- (8CI)
• C05135
• Acetamide, {N-[2-(1H-imidazol-4-yl)ethyl]-}
• SR-01000644822-1
• Acetamide, N-(2-(1H-imidazol-4-yl)ethyl)- (9CI)
• ACETAMIDE, N-(2-IMIDAZOL-4(OR 5)-YLETHYL)-
• Q27095359
• Z1203246098
• N-(2-(1H-imidazol-4-yl)ethyl)acetamide (ACD/Name 4.0)
• 2DB4E262-522E-4D06-80BE-314E0B8161C5
• 3H-Indolium pound not1-Ethyl-3,3- Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfo pound notinner salt.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.05%	96.09%
CHEMBL255	P29275	Adenosine A2b receptor	96.90%	98.59%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	90.51%	81.11%
CHEMBL2581	P07339	Cathepsin D	88.91%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	87.81%	89.34%
CHEMBL4296013	Q5VWK5	Interleukin-23 receptor	85.12%	88.00%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.95%	96.90%
CHEMBL4208	P20618	Proteasome component C5	83.81%	90.00%
CHEMBL3401	O75469	Pregnane X receptor	83.69%	94.73%
CHEMBL3437	Q16853	Amine oxidase, copper containing	82.03%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.36%	94.45%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	80.86%	92.29%

Plants that contains it

• Spinacia oleracea

Cross-Links

• PubChem: 69602
• LOTUS: LTS0068593
• wikiData: Q27095359