Basic information
- Standard SMILES
Cn1c(N(Cc2ccc(C(=O)O)cc2)C2CCC(C(C)(C)C)CC2)nc2ccc(O)cc21- InChIKey
SNJKIQCTUHYHBP-UHFFFAOYSA-N- Molecular formula
- C26H33N3O3
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.25219192
Names & identifiers
- Preferred name
- 4-{[(4-Tert-butylcyclohexyl)(6-hydroxy-1-methyl-1h-benzimidazol-2-yl)amino]-methyl}benzoic acid
- IUPAC
- 4-[[(4-tert-butylcyclohexyl)-(6-hydroxy-1-methylbenzimidazol-2-yl)amino]methyl]benzoic acid
Names & synonyms
SCHEMBL2662775SNJKIQCTUHYHBP-UHFFFAOYSA-N4-{[(4-tert-butylcyclohexyl)(6-hydroxy-1-methyl-1h-benzimidazol-2-yl)amino]-methyl}benzoic acid
Database identifiers
- PubChem CID
- 67488151
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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