Basic information
- CAS
113060-13-2- Standard SMILES
Cc1nc2cc(Cl)c(Cl)cc2n1CCCO- InChIKey
KYCISTYRQNEVDL-UHFFFAOYSA-N- Molecular formula
- C11H12Cl2N2O
- Average molar mass
- 259.13 g/mol
- Monoisotopic mass
- 258.0326684
Names & identifiers
- Preferred name
- 1H-Benzimidazole-1-propanol, 5,6-dichloro-2-methyl-
- IUPAC
- 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)propan-1-ol
Names & synonyms
113060-13-21H-Benzimidazole-1-propanol, 5,6-dichloro-2-methyl-DTXSID70730605,6-Dichloro-1-(3-hydroxypropyl)-2-methylbenzimidazoleRefChem:438089DTXCID70333115,6-Dichloro-2-methyl-1H-benzimidazole-1-propanolMLS001030129CHEMBL1335457KYCISTYRQNEVDL-UHFFFAOYSA-NHMS2797L16STL363150
Show more names
AKOS022124658NCGC00246400-01SMR000425643SR-01000391516SR-01000391516-13-(5,6-Dichloro-2-methyl-benzoimidazol-1-yl)-propan-1-ol3-(5,6-dichloro-2-methyl-1H-benzimidazol-1-yl)propan-1-ol3-(5,6-Dichloro-2-methyl-1H-1,3-benzimidazol-1-yl)propan-1-ol
Database identifiers
- CAS
113060-13-2- PubChem CID
- 86310
- DTXSID
DTXSID7073060- ChEMBL
CHEMBL1335457- Nikkaji
- J1.558.426B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
Solubility33.9 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazole-1-propanol, 5,6-dichloro-2-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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