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N,N,N',N'-tetrakis[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine

HCID 335973
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Basic information

CAS
81624-53-5
Standard SMILES
Cn1c(CN(CCN(Cc2nc3ccccc3n2C)Cc2nc3ccccc3n2C)Cc2nc3ccccc3n2C)nc2ccccc21
InChIKey
LZYCQMATHABWFM-UHFFFAOYSA-N
Molecular formula
C38H40N10
Average molar mass
636.8 g/mol
Monoisotopic mass
636.34374132

Names & identifiers

Preferred name
N,N,N',N'-tetrakis[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
IUPAC
N,N,N',N'-tetrakis[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine

Names & synonyms

81624-53-5NSC348883N,N,N',N'-tetrakis[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamineSCHEMBL11995138DTXSID30319637NSC-348883DS-0082371,2-ETHANEDIAMINE,N1,N1,N2,N2-TETRAKIS[(1-METHYL-1H-BENZIMIDAZOL-2-YL)METHYL]-N~1~,N~1~,N~2~,N~2~-Tetrakis[(1-methyl-1H-1,3-benzimidazol-2-yl)methyl]ethane-1,2-diamine

Database identifiers

CAS
81624-53-5
PubChem CID
335973
DTXSID
DTXSID30319637
Nikkaji
J2.969.639J

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
77.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
48
Formal charge
0
Complexity
891

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