Basic information
- CAS
7256-17-9- Standard SMILES
OCC(O)C(O)C(O)C(O)c1nc2ccc(Cl)cc2[nH]1- InChIKey
OTJUGWIBOBZMSV-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O5
- Average molar mass
- 302.71 g/mol
- Monoisotopic mass
- 302.0669493
Names & identifiers
- Preferred name
- 1-C-(5-chloro-1H-benzimidazol-2-yl)pentitol
- IUPAC
- 1-(6-chloro-1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
Names & synonyms
NSC187197256-17-9NSC-187191-C-(5-chloro-1H-benzimidazol-2-yl)pentitolCHEMBL1987244DTXSID10993414NSC401578ZINC01561562NSC-4015787479-16-5NCI60_0015551-C-(6-Chloro-1H-1,3-benzimidazol-2-yl)pentitol
Show more names
1-C-(6-CHLORO-1H-BENZIMIDAZOL-2-YL)PENTITOL1-(5-chloro-1 h-benzo[d]imidazol-2-yl)pentane-1,2,3,4,5-pentaol
Database identifiers
- CAS
7256-17-9、7479-16-5- PubChem CID
- 227263
- DTXSID
DTXSID10993414- ChEMBL
CHEMBL1987244
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…