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Home > Imidazoles > 824395-31-5
824395-31-5 | 1H-Benzimidazole, 2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-5-nitro-
CAS No: 824395-31-5 Catalog No: AG0051KY MDL No:
Product Description
Catalog Number:
AG0051KY
Chemical Name:
1H-Benzimidazole, 2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-5-nitro-
CAS Number:
824395-31-5
Molecular Formula:
C18H15N5O2
Molecular Weight:
333.3440
IUPAC Name:
2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C18H15N5O2/c1-10-11(2)20-17(19-10)13-5-3-4-6-14(13)18-21-15-8-7-12(23(24)25)9-16(15)22-18/h3-9H,1-2H3,(H,19,20)(H,21,22)
InChI Key:
YSGAPCYFSTVDMM-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(nc1C)c1ccccc1c1[nH]c2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.123g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.351g/mol
Monoisotopic Mass:
333.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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