2-(4-Amino-phenylethynyl)-3,5-dimethyl-3H-imidazole-4-carboxylic acid ethyl ester

HCID 9835474
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Basic information

Standard SMILES
CCOC(=O)c1c(C)nc(C#Cc2ccc(N)cc2)n1C
InChIKey
AETOAKAJYVULJF-UHFFFAOYSA-N
Molecular formula
C16H17N3O2
Average molar mass
283.32 g/mol

Names & identifiers

Preferred name
2-(4-Amino-phenylethynyl)-3,5-dimethyl-3H-imidazole-4-carboxylic acid ethyl ester
IUPAC
ethyl 2-[2-(4-aminophenyl)ethynyl]-3,5-dimethylimidazole-4-carboxylate

Names & synonyms

SCHEMBL6203026AETOAKAJYVULJF-UHFFFAOYSA-N2-(4-Amino-phenylethynyl)-3,5-dimethyl-3H-imidazole-4-carboxylic acid ethyl ester

Database identifiers

PubChem CID
9835474

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
70.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

4 records
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Compound notes

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