2-((2,4-Dichlorophenoxy)methyl)-1H-benzimidazole
Basic information
- CAS
3156-21-6- Standard SMILES
Clc1ccc(OCc2nc3ccccc3[nH]2)c(Cl)c1- InChIKey
CXKZUNIQSJXPPO-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2N2O
- Average molar mass
- 293.1 g/mol
- Monoisotopic mass
- 292.0170183
Names & identifiers
- Preferred name
- 2-((2,4-Dichlorophenoxy)methyl)-1H-benzimidazole
- IUPAC
- 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole
- English name
- 2-(2,4-Dichloro-phenoxymethyl)-1H-benzoimidazole
- Molecular formula
- C14H10Cl2N2O
- Molecular weight
- 293.15
Names & synonyms
3156-21-62-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazoleBENZIMIDAZOLE, 2-((2,4-DICHLOROPHENOXY)METHYL)-DTXSID701854592-((2,4-Dichlorophenoxy)methyl)-1H-benzimidazoleRefChem:1060465DTXCID301079502-((2,4-dichlorophenoxy)methyl)-1H-benzo[d]imidazoleF0783-00652-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzimidazoleBRN 08895811-(benzimidazol-2-ylmethoxy)-2,4-dichlorobenzene
Show more names
1H-Benzimidazole, 2-[(2,4-dichlorophenoxy)methyl]-
2-(2,4-Dichloro-phenoxymethyl)-1H-benzoimidazole2-(2,4-Dichlorophenoxymethyl)benzimidazole2-(2,4-dichlorophenoxymethyl)-1H-1,3-benzodiazoleCambridge id 5185905Oprea1_238790Oprea1_3863675-23-11-00326 (Beilstein Handbook Reference)2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole
Database identifiers
- CAS
3156-21-6- PubChem CID
- 18476
- DTXSID
DTXSID70185459- ChEMBL
CHEMBL5488990- Nikkaji
- J26.639F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 519.9 · 519.9±40.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- 11.29 · 11.29±0.10(Predicted)
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Compound notes
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