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Home > Imidazoles > 876660-05-8
876660-05-8 | 1H-Benzimidazolium, 1,3-bis(1-naphthalenylmethyl)-, chloride
CAS No: 876660-05-8 Catalog No: AG004H6L MDL No:
Product Description
Catalog Number:
AG004H6L
Chemical Name:
1H-Benzimidazolium, 1,3-bis(1-naphthalenylmethyl)-, chloride
CAS Number:
876660-05-8
Molecular Formula:
C29H25ClN2
Molecular Weight:
436.9752
IUPAC Name:
1,3-bis(naphthalen-1-ylmethyl)-1,2-dihydrobenzimidazol-1-ium;chloride
InChI:
InChI=1S/C29H24N2.ClH/c1-3-15-26-22(9-1)11-7-13-24(26)19-30-21-31(29-18-6-5-17-28(29)30)20-25-14-8-12-23-10-2-4-16-27(23)25;/h1-18H,19-21H2;1H
InChI Key:
TWPVHSQOJTUXRW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)N(Cc1cccc3c1cccc3)C[NH+]2Cc1cccc2c1cccc2.[Cl-]
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.171g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.983g/mol
Monoisotopic Mass:
436.171g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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