6-chloro-1-methoxy-2-phenyl-1H-1,3-benzimidazole
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Basic information
- CAS
338978-73-7- Standard SMILES
COn1c(-c2ccccc2)nc2ccc(Cl)cc21- InChIKey
USVCHZHSFHTEBE-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O
- Average molar mass
- 258.7 g/mol
Names & identifiers
- Preferred name
- 6-chloro-1-methoxy-2-phenyl-1H-1,3-benzimidazole
- IUPAC
- 6-chloro-1-methoxy-2-phenylbenzimidazole
- English name
- 6-Chloro-1-methoxy-2-phenyl-1H-1,3-benzimidazole
- Molecular formula
- C14H11ClN2O
- Molecular weight
- 258.7
Names & synonyms
6-chloro-1-methoxy-2-phenyl-1H-1,3-benzimidazole6-chloro-1-methoxy-2-phenylbenzimidazole338978-73-76-chloro-1-methoxy-2-phenyl-1H-1,3-benzodiazoleSMR000169367MLS000543398CHEMBL1382027SCHEMBL26038761BDBM76440cid_3784890HMS2392C13AKOS005104719
Show more names
1H-Benzimidazole, 6-chloro-1-methoxy-2-phenyl-
9F-343S6-chloro-1-methoxy-2-phenyl-benzimidazole6-chloranyl-1-methoxy-2-phenyl-benzimidazole6-Chloro-1-methoxy-2-phenyl-1H-benzo[d]imidazole
Database identifiers
- CAS
338978-73-7- ChEMBL
CHEMBL1382027
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 410.2 · 410.2±37.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 2.27 · 2.27±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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