Basic information
- Standard SMILES
Cn1c(N(Cc2ccc(C(=O)O)cc2)C2CCC(C(C)(C)C)CC2)nc2ccccc21- InChIKey
VGNIDTPNEMAJEM-UHFFFAOYSA-N- Molecular formula
- C26H33N3O2
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.2572773
Names & identifiers
- Preferred name
- 4-{[(4-tert-Butylcyclohexyl)(1-methyl-1H-benzimidazol-2-yl)amino]methyl}-benzoic acid
- IUPAC
- 4-[[(4-tert-butylcyclohexyl)-(1-methylbenzimidazol-2-yl)amino]methyl]benzoic acid
Names & synonyms
SCHEMBL3913038VGNIDTPNEMAJEM-UHFFFAOYSA-N4-{[(4-tert-Butylcyclohexyl)(1-methyl-1H-benzimidazol-2-yl)amino]methyl}-benzoic acid
Database identifiers
- PubChem CID
- 68836715
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 602
Related reactions
4 records
Compound notes
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