Basic information
- CAS
37523-81-2- Standard SMILES
COc1ccc2nc(C(C)O)[nH]c2c1- InChIKey
JQWUCRAPWREFES-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
Names & identifiers
- Preferred name
- 1-(5-Methoxy-1H-benzoimidazol-2-yl)-ethanol
- IUPAC
- 1-(6-methoxy-1H-benzimidazol-2-yl)ethanol
- English name
- 1H-Benzimidazole-2-methanol,5-methoxy-alpha-methyl-(9CI)
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
1-(5-Methoxy-1H-benzoimidazol-2-yl)-ethanol18046-39-4DTXSID80306138RefChem:225786DTXCID702572661-(5-Methoxy-1H-benzo[d]imidazol-2-yl)ethanol37523-81-21-(5-methoxy-1H-benzimidazol-2-yl)ethanol1-(6-methoxy-1H-benzimidazol-2-yl)ethanolNSC174221MLS0005501141-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethan-1-ol
Show more names
1H-Benzimidazole-2-methanol, 6-methoxy-α-methyl-1H-Benzimidazole-2-methanol,5-methoxy-alpha-methyl-(9CI)
SCHEMBL5951828CHEMBL1325714JQWUCRAPWREFES-UHFFFAOYSA-NHMS2390B04JGA12198AKOS002675765AKOS016048413NSC-174221
Database identifiers
- CAS
37523-81-2- ChEMBL
CHEMBL1325714
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 422.7 · 422.7±25.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 12.33 · 12.33±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
CHEMSTEP[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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