Benzimidazole, 2-((o-chlorophenoxy)methyl)-1-((2-pyridylamino)methyl)-
Basic information
- CAS
84138-37-4- Standard SMILES
Clc1ccccc1OCc1nc2ccccc2n1CNc1ccccn1- InChIKey
GMTHXKRYZNVTGH-UHFFFAOYSA-N- Molecular formula
- C20H17ClN4O
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.1090889
Names & identifiers
- Preferred name
- Benzimidazole, 2-((o-chlorophenoxy)methyl)-1-((2-pyridylamino)methyl)-
- IUPAC
- N-[[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-2-amine
- English name
- N-[[2-[(2-chlorophenoxy)methyl]benzoimidazol-1-yl]methyl]pyridin-2-ami ne
- Molecular formula
- C20H17ClN4O
- Molecular weight
- 364.83
Names & synonyms
84138-37-4Benzimidazole, 2-((o-chlorophenoxy)methyl)-1-((2-pyridylamino)methyl)-2-((o-Chlorophenoxy)methyl)-1-((2-pyridylamino)methyl)benzimidazole1H-Benzimidazole-1-methanamine, 2-((2-chlorophenoxy)methyl)-N-2-pyridinyl-DTXSID10233024RefChem:325841DTXCID10155515N-({2-[(2-Chlorophenoxy)methyl]-1H-1,3-benzimidazol-1-yl}methyl)pyridin-2-amineN-[[2-[(2-chlorophenoxy)methyl]benzoimidazol-1-yl]methyl]pyridin-2-ami ne1H-Benzimidazole-1-methanamine, 2-[(2-chlorophenoxy)methyl]-N-2-pyridinyl-
Database identifiers
- CAS
84138-37-4- PubChem CID
- 3068985
- DTXSID
DTXSID10233024
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 613.1 · 613.1±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 5.9 · 5.90±0.10(Predicted)
- Comptox DTXSID
- 10233024 · DTXSID10233024
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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