2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
Basic information
- CAS
109753-47-1- Standard SMILES
Cn1c(=N)n(CCO)c2ccccc21- InChIKey
FEUARHYOXQCMGQ-UHFFFAOYSA-N- Molecular formula
- C10H13N3O
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.10586205
Names & identifiers
- Preferred name
- 2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
- IUPAC
- 2-(2-imino-3-methylbenzimidazol-1-yl)ethanol
- English name
- CHEMBRDG-BB 5664581
- Molecular formula
- C10H13N3O
- Molecular weight
- 191.23
Names & synonyms
109753-47-12-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol2-(2-imino-3-methylbenzimidazol-1-yl)ethanol2-(2-Imino-3-methyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanolHMS1370G22ChemDiv2_000506Oprea1_068416AE-848/12529050DTXSID60354016STK001748AKOS0014890352-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-ol
Show more names
CHEMBRDG-BB 56645811H-Benzimidazole-1-ethanol, 2,3-dihydro-2-imino-3-methyl-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol(SALTDATA: HCl)
2-(2-Imino-3-methyl-2,3-dihydro-1H-1,3-benzimidazol-1-yl)ethan-1-ol2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
109753-47-1- PubChem CID
- 761906
- DTXSID
DTXSID60354016
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 133 · 133-134 °C(Solv: benzene (71-43-2))
- Boiling point
- 324.9 · 324.9±44.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 14.28 · 14.28±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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