Basic information
- CAS
52517-80-3- Standard SMILES
COC(=O)C=Cn1cnc2ccccc21- InChIKey
MKSRVTFIQXUOAM-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- methyl 3-(1H-benzimidazol-1-yl)prop-2-enoate
- IUPAC
- methyl 3-(benzimidazol-1-yl)prop-2-enoate
Names & synonyms
methyl 3-(1H-benzimidazol-1-yl)prop-2-enoate52517-80-3DTXSID70302245Methyl 3-(1H-1,3-benzimidazol-1-yl)prop-2-enoate
Database identifiers
- CAS
52517-80-3- PubChem CID
- 288564
- DTXSID
DTXSID70302245
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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