Basic information
- Standard SMILES
COC(=O)Cc1cncn1Cc1ccc(C#N)cc1- InChIKey
LZMJLUMIJMDWNP-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2
- Average molar mass
- 255.27 g/mol
Names & identifiers
- Preferred name
- [1-(4-Cyanobenzyl)-1H-imidazol-5-yl]acetic acid methyl ester
- IUPAC
- methyl 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetate
Names & synonyms
SCHEMBL7086608LZMJLUMIJMDWNP-UHFFFAOYSA-N[1-(4-cyanobenzyl) 1H-imidazol-5-yl]acetic acid methyl ester[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]acetic acid methyl ester[1-(4-cyanobenzyl)-lH-imidazol-5-yl]acetic acid methyl ester
Database identifiers
- PubChem CID
- 10634751
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Related reactions
38 records
Compound notes
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