4-Cyano-1H-imidazole-2-carboxylic acid [4-(1-azido-1-methyl-ethyl)-2-cyclohex-1-enyl-phenyl]-amide
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Basic information
- Standard SMILES
CC(C)(N=[N+]=[N-])c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCCCC2)c1- InChIKey
CHMSOMJAAFNOGI-UHFFFAOYSA-N- Molecular formula
- C20H21N7O
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.18075832
Names & identifiers
- Preferred name
- 4-Cyano-1H-imidazole-2-carboxylic acid [4-(1-azido-1-methyl-ethyl)-2-cyclohex-1-enyl-phenyl]-amide
- IUPAC
- N-[4-(2-azidopropan-2-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
Names & synonyms
SCHEMBL14383432CHMSOMJAAFNOGI-UHFFFAOYSA-N4-Cyano-1H-imidazole-2-carboxylic acid [4-(1-azido-1-methyl-ethyl)-2-cyclohex-1-enyl-phenyl]-amide
Database identifiers
- PubChem CID
- 59457536
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 715
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Related reactions
6 records
Compound notes
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