methyl 3-[({3-[(6-cyano-1H-benzimidazol-1-yl)methyl]-1-hydroxycyclohexaneyl}methyl)amino]-2,2-dimethylpropanoate
Basic information
- Standard SMILES
COC(=O)C(C)(C)CNCC1(O)CCCC(Cn2cnc3ccc(C#N)cc32)C1- InChIKey
UNPGCQCCCJIDCO-UHFFFAOYSA-N- Molecular formula
- C22H30N4O3
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- methyl 3-[({3-[(6-cyano-1H-benzimidazol-1-yl)methyl]-1-hydroxycyclohexaneyl}methyl)amino]-2,2-dimethylpropanoate
- IUPAC
- methyl 3-[[3-[(6-cyanobenzimidazol-1-yl)methyl]-1-hydroxycyclohexyl]methylamino]-2,2-dimethylpropanoate
Names & synonyms
SCHEMBL14638836UNPGCQCCCJIDCO-UHFFFAOYSA-Nmethyl 3-[({3-[(6-cyano-1H-benzimidazol-1-yl)methyl]-1-hydroxycyclohexaneyl}methyl)amino]-2,2-dimethylpropanoate
Database identifiers
- PubChem CID
- 71227554
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 631
Related reactions
2 records
Compound notes
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