Basic information
- CAS
5028-36-4- Standard SMILES
OC(c1nc2ccccc2[nH]1)c1ccccc1Cl- InChIKey
XUYNRXMKTFQWDQ-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0559907
Names & identifiers
- Preferred name
- 2-Benzimidazolemethanol, alpha-(o-chlorophenyl)-
- IUPAC
- 1H-benzimidazol-2-yl-(2-chlorophenyl)methanol
Names & synonyms
5028-36-42-BENZIMIDAZOLEMETHANOL, alpha-(o-CHLOROPHENYL)-RefChem:1062305alpha-(o-Chlorophenyl)-2-benzimidazolemethanolBRN 0664554DTXSID30964560(1H-Benzimidazol-2-yl)(2-chlorophenyl)methanol(1H-1,3-Benzimidazol-2-yl)(2-chlorophenyl)methanol
Database identifiers
- CAS
5028-36-4- PubChem CID
- 21124
- DTXSID
DTXSID30964560- Nikkaji
- J69.221B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…