Basic information
- CAS
53215-86-4- Standard SMILES
O=C(/C=C/c1cnc[nH]1)NCCc1cnc[nH]1- InChIKey
RYFPSMUWVMCWSD-OWOJBTEDSA-N- Molecular formula
- C11H13N5O
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.11201006
Overview
structure
Names & identifiers
- Preferred name
- N-Urocanylhistamine
- IUPAC
- (E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
Names & synonyms
N-Urocanylhistamine53215-86-42-Propenamide, 3-(1H-imidazol-4-yl)-N-(2-(1H-imidazol-4-yl)ethyl)-RefChem:164293(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamideSCHEMBL27267319SCHEMBL30805743
Database identifiers
- CAS
53215-86-4- PubChem CID
- 6443545
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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