2-Amino-N~1~,N~4~-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide--hydrogen chloride (1/1)
Basic information
- CAS
6012-29-9- Standard SMILES
Cl.Nc1cc(C(=O)Nc2cccc(C3=NCCN3)c2)ccc1C(=O)Nc1cccc(C2=NCCN2)c1- InChIKey
FTQSCZKIHVAPBB-UHFFFAOYSA-N- Molecular formula
- C26H26ClN7O2
- Average molar mass
- 504 g/mol
- Monoisotopic mass
- 503.1836508
Names & identifiers
- Preferred name
- 2-Amino-N~1~,N~4~-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide--hydrogen chloride (1/1)
- IUPAC
- 2-amino-1-N,4-N-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
Names & synonyms
6012-29-9DTXSID40712731NSC50464NSC-504642-Amino-N~1~,N~4~-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
6012-29-9- PubChem CID
- 54599348
- DTXSID
DTXSID40712731
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 844
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Compound notes
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