1-Ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
Basic information
- CAS
750647-96-2- Standard SMILES
C#Cn1ccnc1C#CCOC- InChIKey
AVFYHMHFDOZJCP-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 1-Ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
- IUPAC
- 1-ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
- English name
- 1H-Imidazole,1-ethynyl-2-(3-methoxy-1-propynyl)-(9CI)
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
CHEMBL18080401H-Imidazole, 1-ethynyl-2-(3-methoxy-1-propyn-1-yl)-1H-Imidazole,1-ethynyl-2-(3-methoxy-1-propynyl)-(9CI)
Database identifiers
- CAS
750647-96-2- PubChem CID
- 12130697
- ChEMBL
CHEMBL1808040- Nikkaji
- J2.269.161I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
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Related reactions
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Compound notes
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