Basic information
- Standard SMILES
Cn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc21- InChIKey
XOTGUYBYWPDVDS-APWZRJJASA-N- Molecular formula
- C21H21N3O2
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 5-(cis-2,3,4,4a,9,9a-Hexahydro-indeno[2,1-b]pyridine-1-carbonyl)-1-methyl-1,3-dihydro-benzoimidazol-2-one
- IUPAC
- 6-[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
Names & synonyms
SCHEMBL1950080XOTGUYBYWPDVDS-APWZRJJASA-N5-(cis-2,3,4,4a,9,9a-Hexahydro-indeno[2,1-b]pyridine-1-carbonyl)-1-methyl-1,3-dihydro-benzoimidazol-2-one
Database identifiers
- PubChem CID
- 67223379
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 594
Related reactions
4 records
Compound notes
Loading…