Basic information
- Standard SMILES
COC(=O)c1cccc2[nH]c(NCC3CCN(Cc4cc(Cl)cc(Cl)c4O)CC3)nc12- InChIKey
FMQLBTZJMFNWLF-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2N4O3
- Average molar mass
- 463.4 g/mol
Names & identifiers
- Preferred name
- 2-{[1-(3,5-dichloro-2-hydroxy-benzyl)-piperidin-4-ylmethyl]-amino}-1H-benzimidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 2-[[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]methylamino]-1H-benzimidazole-4-carboxylate
Names & synonyms
SCHEMBL4504259FMQLBTZJMFNWLF-UHFFFAOYSA-N2-{[1-(3,5-dichloro-2-hydroxy-benzyl)-piperidin-4-ylmethyl]-amino}-1H-benzimidazole-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 10195352
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 607
Related reactions
4 records
Compound notes
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