Methyl [2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]carbamate
Basic information
- Standard SMILES
COC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCOCC1- InChIKey
MTQBLJXCIJHMHT-UHFFFAOYSA-N- Molecular formula
- C19H27N3O3
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- Methyl [2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]carbamate
- IUPAC
- methyl N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]carbamate
Names & synonyms
Methyl [2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]carbamateSCHEMBL10048009MTQBLJXCIJHMHT-UHFFFAOYSA-N849350-95-4DB-319756Methyl[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]carbamate
Database identifiers
- PubChem CID
- 57723208
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Related reactions
4 records
Compound notes
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