Basic information
- Standard SMILES
COC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C#Cc4ccccc4)n3)nc12- InChIKey
XSNUAHRUDRNRKF-UHFFFAOYSA-N- Molecular formula
- C23H16N4O3
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.12224039
Names & identifiers
- Preferred name
- 2-[(6-phenylethynyl-pyridine-2-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 2-[[6-(2-phenylethynyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylate
Names & synonyms
SCHEMBL1201054XSNUAHRUDRNRKF-UHFFFAOYSA-N2-[(6-phenylethynyl-pyridine-2-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58724459
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 693
Related reactions
4 records
Compound notes
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