Basic information
- CAS
610275-06-4- Standard SMILES
CCCc1nc2ccccc2n1C(=O)CCCC(=O)O- InChIKey
QHTBHELAQVDGFZ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- I-Oxo-2-propyl-1H-benzimidazole-1-pentanoic acid
- IUPAC
- 5-oxo-5-(2-propylbenzimidazol-1-yl)pentanoic acid
Names & synonyms
DTXSID001239729AKOS002665282610275-06-4I -Oxo-2-propyl-1H-benzimidazole-1-pentanoic acid5-Oxo-5-(2-propyl-1H-benzimidazol-1-yl)pentanoic acid
Database identifiers
- CAS
610275-06-4- PubChem CID
- 5084945
- DTXSID
DTXSID001239729
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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