Completing data — usually done within a minute
Basic information
- CAS
1243164-14-8- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2C2CCCC2)cc1C- InChIKey
QIHBUPJMWAWTDO-UHFFFAOYSA-N- Molecular formula
- C17H19N3O4
- Average molar mass
- 329.35 g/mol
- Monoisotopic mass
- 329.13755609
Names & identifiers
- Preferred name
- methyl 4-(2-cyclopentyl-1H-imidazol-1-yl)-2-methyl-5-nitrobenzoate
- IUPAC
- methyl 4-(2-cyclopentylimidazol-1-yl)-2-methyl-5-nitrobenzoate
Names & synonyms
methyl 4-(2-cyclopentyl-1H-imidazol-1-yl)-2-methyl-5-nitrobenzoateSCHEMBL1723327QIHBUPJMWAWTDO-UHFFFAOYSA-NDTXSID7011665511243164-14-8
Database identifiers
- CAS
1243164-14-8- PubChem CID
- 58575136
- DTXSID
DTXSID701166551
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 475
Related reactions
3 records
Compound notes
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