Histamine, N-benzoyl-
Basic information
- CAS
29677-71-2- Standard SMILES
O=C(NCCc1cnc[nH]1)c1ccccc1- InChIKey
DAUCLDROLUGJDY-UHFFFAOYSA-N- Molecular formula
- C12H13N3O
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.10586205
Overview
Benzamide, N-[2-(1H-imidazol-4-yl)ethyl]- has been reported in Zanthoxylum dipetalum with data available.
Names & identifiers
- Preferred name
- Histamine, N-benzoyl-
- IUPAC
- N-[2-(1H-imidazol-5-yl)ethyl]benzamide
Names & synonyms
29677-71-2Histamine, N-benzoyl-N-benzoylhistamineN-[2-(1H-imidazol-5-yl)ethyl]benzamideSCHEMBL1300262SCHEMBL19303133DTXSID00876787DAUCLDROLUGJDY-UHFFFAOYSA-NAKOS002808064DB-114962N-[2-(1H-Imidazol-4-yl)ethyl]benzamide #
Database identifiers
- CAS
29677-71-2- PubChem CID
- 565505
- DTXSID
DTXSID00876787- Nikkaji
- J944.465C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
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Related reactions
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Compound notes
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