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Basic information
- Standard SMILES
Cn1ccnc1-c1ccc(CNC(=O)OC(C)(C)C)cc1- InChIKey
UIVBAYOXIMAUHE-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Names & identifiers
- Preferred name
- [4-(1-methyl-1H-imidazol-2-yl)-benzyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[4-(1-methylimidazol-2-yl)phenyl]methyl]carbamate
Names & synonyms
SCHEMBL507323UIVBAYOXIMAUHE-UHFFFAOYSA-N[4-(1-methyl-1H-imidazol-2-yl)-benzyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57656293
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
5 records
Compound notes
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