Basic information
- CAS
1181267-37-7- Standard SMILES
COC(=O)C(C)(C)c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1- InChIKey
QDVMKQMVBKTSSW-UHFFFAOYSA-N- Molecular formula
- C25H31N3O2
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.24162723
Names & identifiers
- Preferred name
- 2-(4-{2-[4-(1H-benzoimidazol-2-yl)-piperidin-1-yl]-ethyl}-phenyl)-2-methyl-propionic acid methylester
- IUPAC
- methyl 2-[4-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]phenyl]-2-methylpropanoate
Names & synonyms
SCHEMBL14916479QDVMKQMVBKTSSW-UHFFFAOYSA-NDTXSID2011278811181267-37-72-(4-{2-[4-(1H-benzoimidazol-2-yl)-piperidin-1-yl]-ethyl}-phenyl)-2-methyl-propionic acid methylesterMethyl 2-(4-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl}phenyl)-2-methylpropanoate2-(4-{2-[4-(1H-benzoimidazol-2-yl)-piperidin-1-yl]-ethyl}-phenyl)-2-methyl-propio nic acid methylesterMethyl 4-[2-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]ethyl]-I+/-,I+/--dimethylbenzeneacetate
Database identifiers
- CAS
1181267-37-7- PubChem CID
- 45257530
- DTXSID
DTXSID201127881
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
6 records
Compound notes
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