1-Tert-butoxycarbonyl-4-methyl-5-(2-imidazolinylamino)benzimidazole
Basic information
- Standard SMILES
Cc1c(NN2C=NCC2)ccc2c1ncn2C(=O)OC(C)(C)C- InChIKey
KSWXXGKRLRYTET-UHFFFAOYSA-N- Molecular formula
- C16H21N5O2
- Average molar mass
- 315.37 g/mol
Names & identifiers
- Preferred name
- 1-Tert-butoxycarbonyl-4-methyl-5-(2-imidazolinylamino)benzimidazole
- IUPAC
- tert-butyl 5-(4,5-dihydroimidazol-1-ylamino)-4-methylbenzimidazole-1-carboxylate
Names & synonyms
SCHEMBL8926948KSWXXGKRLRYTET-UHFFFAOYSA-N1 -tert-butoxycarbonyl-4-methyl-5-(2-imidazolinylamino)benzimidazole1-tert-butoxycarbonyl-4-methyl-5-(2-imidazolinylamino)benzimidazole
Database identifiers
- PubChem CID
- 67727353
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
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Related reactions
6 records
Compound notes
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