1-(6-Methyl-1h-benzimidazol-2-yl)butane-1,2,3,4-tetrol
Basic information
- CAS
7146-30-7- Standard SMILES
Cc1ccc2nc(C(O)C(O)C(O)CO)[nH]c2c1- InChIKey
QYMKMZDWSYJGFV-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.111007
Names & identifiers
- Preferred name
- 1-(6-Methyl-1h-benzimidazol-2-yl)butane-1,2,3,4-tetrol
- IUPAC
- 1-(6-methyl-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
Names & synonyms
7146-30-71-(6-methyl-1h-benzimidazol-2-yl)butane-1,2,3,4-tetrolNSC187211-(6-methyl-1h-benzo[d]imidazol-2-yl)butane-1,2,3,4-tetrolDTXSID00280800NSC-187211-(6-Methyl-1H-benzoimidazol-2-yl)-butane-1,2,3,4-tetraol1-(6-Methyl-1H-1,3-benzimidazol-2-yl)butane-1,2,3,4-tetrol
Database identifiers
- CAS
7146-30-7- PubChem CID
- 227264
- DTXSID
DTXSID00280800
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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