Basic information
- Standard SMILES
Cc1c(CCC(=O)O)n(Cc2ccc(-n3ccnc3)cc2)c2ccc(F)cc12- InChIKey
CNLWHORCFFAGQQ-UHFFFAOYSA-N- Molecular formula
- C22H20FN3O2
- Average molar mass
- 377.4 g/mol
Names & identifiers
- Preferred name
- 5-Fluoro-1-[[4-(1H-imidazol-1-yl)phenyl]methyl]-3-methyl-1H-indole-2-propanoic acid
- IUPAC
- 3-[5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylindol-2-yl]propanoic acid
Names & synonyms
SCHEMBL9452850CNLWHORCFFAGQQ-UHFFFAOYSA-NL0078375-Fluoro-1-[[4-(1H-imidazol-1-yl)phenyl]methyl]-3-methyl-1H-indole-2-propanoic acid
Database identifiers
- PubChem CID
- 9799866
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
4 records
Compound notes
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