Basic information
- CAS
4607-27-6- Standard SMILES
CC1CN=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=NCC(C)N5)cc4)c(N)c3)cc2)N1- InChIKey
VEWNADUEXBCCOQ-UHFFFAOYSA-N- Molecular formula
- C28H29N7O2
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.23827319
Names & identifiers
- Preferred name
- 2-Amino-4',4''-bis(5-methyl-2-imidazolin-2-yl)terephthalanilide
- IUPAC
- 2-amino-1-N,4-N-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
- English name
- 2-Amino-N,N'-bis[4-(5-methyl-2-imidazolin-2-yl)phenyl]terephthalamide
- Molecular formula
- C28H29N7O2
- Molecular weight
- 495.57556
Names & synonyms
2-Amino-4',4''-bis(5-methyl-2-imidazolin-2-yl)terephthalanilideDTXSID708634224607-27-6RefChem:1062170DTXCID60812045NSC 66761GNF-Pf-5022CHEMBL585815SCHEMBL15788276BDBM97432Terephthalanilide, 2-amino-4',4''-bis(5-methyl-2-imidazolin-2-yl)-2-Amino-N~1~,N~4~-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
Show more names
NSC-667612-Amino-N,N'-bis[4-(5-methyl-2-imidazolin-2-yl)phenyl]terephthalamide
Database identifiers
- CAS
4607-27-6- PubChem CID
- 24650
- DTXSID
DTXSID70863422- ChEMBL
CHEMBL585815- Nikkaji
- J130.122E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 889
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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