N,N-Bis(2-chloroethyl)-4-(((4-(1H-imidazol-4-yl)phenyl)imino)methyl)benzenamine
Basic information
- CAS
93637-71-9- Standard SMILES
ClCCN(CCCl)c1ccc(C=Nc2ccc(-c3cnc[nH]3)cc2)cc1- InChIKey
SURSXSODVFYHIL-UHFFFAOYSA-N- Molecular formula
- C20H20Cl2N4
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 386.106502
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-4-(((4-(1H-imidazol-4-yl)phenyl)imino)methyl)benzenamine
- IUPAC
- N,N-bis(2-chloroethyl)-4-[[4-(1H-imidazol-5-yl)phenyl]iminomethyl]aniline
Names & synonyms
BRN 5600584N,N-Bis(2-chloroethyl)-4-(((4-(1H-imidazol-4-yl)phenyl)imino)methyl)benzenamineBenzenamine, N,N-bis(2-chloroethyl)-4-(((4-(1H-imidazol-4-yl)phenyl)imino)methyl)-93637-71-9
Database identifiers
- CAS
93637-71-9- PubChem CID
- 56683
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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