5-(3-Indolyl)-2,3-dihydro-1H-1,4-benzodiazepine
Basic information
- CAS
16274-02-5- Standard SMILES
c1ccc2c(c1)NCCN=C2c1c[nH]c2ccccc12- InChIKey
NKGNYANHMDCHRL-UHFFFAOYSA-N- Molecular formula
- C17H15N3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.12659749
Names & identifiers
- Preferred name
- 5-(3-Indolyl)-2,3-dihydro-1H-1,4-benzodiazepine
- IUPAC
- 5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine
Names & synonyms
68JA26TM4Y5-(3-INDOLYL)-2,3-DIHYDRO-1H-1,4-BENZODIAZEPINE2,3-Dihydro-5-(1H-indol-3-yl)-1H-1,4-benzodiazepine1H-1,4-Benzodiazepine, 2,3-dihydro-5-(1H-indol-3-yl)-16274-02-5
Database identifiers
- CAS
16274-02-5- PubChem CID
- 27783
- UNII
- 68JA26TM4Y
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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