Basic information
- Standard SMILES
COC(=O)N1CCC(N2CC(n3c(=O)[nH]c4ccccc43)C2)CC1- InChIKey
FHIDPJMALDQEFF-UHFFFAOYSA-N- Molecular formula
- C17H22N4O3
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.16919058
Names & identifiers
- Preferred name
- 1-[1-(1-methoxycarbonylpiperidin-4-yl)-azetidin-3-yl]-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- methyl 4-[3-(2-oxo-3H-benzimidazol-1-yl)azetidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6580671FHIDPJMALDQEFF-UHFFFAOYSA-N1-[1-(1-methoxycarbonylpiperidin-4-yl)-azetidin-3-yl]-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- PubChem CID
- 22745255
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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