Basic information
- Standard SMILES
CCOC(=O)C1CC1COc1nc2c(F)c(I)c(F)cc2n1Cc1ccc(-c2ccccc2)cc1- InChIKey
HENSHLBEQKALTE-UHFFFAOYSA-N- Molecular formula
- C27H23F2IN2O3
- Average molar mass
- 588.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-({[1-(biphenyl-4-ylmethyl)-4,6-difluoro-5-iodo-1H-benzimidazol-2-yl]oxy}methyl)cyclopropanecarboxylate
- IUPAC
- ethyl 2-[[4,6-difluoro-5-iodo-1-[(4-phenylphenyl)methyl]benzimidazol-2-yl]oxymethyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL2442003HENSHLBEQKALTE-UHFFFAOYSA-NEthyl 2-({[1-(biphenyl-4-ylmethyl)-4,6-difluoro-5-iodo-1H-benzimidazol-2-yl]oxy}methyl)cyclo-propanecarboxylateEthyl 2-({[1-(biphenyl-4-ylmethyl)-4,6-difluoro-5-iodo-1H-benzimidazol-2-yl]oxy}methyl)cyclopropanecarboxylate
Database identifiers
- PubChem CID
- 67409526
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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