Basic information
- CAS
54161-63-6- Standard SMILES
COc1ccc(C=Nc2nc3ccccc3[nH]2)cc1- InChIKey
DDNITXQZCRTCOD-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 1H-Benzimidazol-2-amine, N-[(4-methoxyphenyl)methylene]-
- IUPAC
- N-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)methanimine
Names & synonyms
N-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)methanimine54161-63-6CDS1_0009011H-Benzimidazol-2-amine, N-[(4-methoxyphenyl)methylene]-Maybridge1_005653Oprea1_156987DivK1c_001941DTXSID10351075NS00016617N-(1H-1,3-Benzimidazol-2-yl)-1-(4-methoxyphenyl)methanimine
Database identifiers
- CAS
54161-63-6- PubChem CID
- 689869
- DTXSID
DTXSID10351075
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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