1-[2-(4-Fluorophenyl)ethyl]-1H-benzimidazole-5-carboxylic acid
Basic information
- CAS
1153977-61-7- Standard SMILES
O=C(O)c1ccc2c(c1)ncn2CCc1ccc(F)cc1- InChIKey
MOXKHFCMNNGCIK-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O2
- Average molar mass
- 284.28 g/mol
- Monoisotopic mass
- 284.09610582
Names & identifiers
- Preferred name
- 1-[2-(4-Fluorophenyl)ethyl]-1H-benzimidazole-5-carboxylic acid
- IUPAC
- 1-[2-(4-fluorophenyl)ethyl]benzimidazole-5-carboxylic acid
Names & synonyms
DTXSID9011777561-[2-(4-Fluorophenyl)ethyl]-1H-benzimidazole-5-carboxylic acid1153977-61-7
Database identifiers
- CAS
1153977-61-7- PubChem CID
- 43566652
- DTXSID
DTXSID901177756
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
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Compound notes
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