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Home > Imidazoles > 88422-31-5
88422-31-5 | 1H-Benzimidazole-1-sulfonamide, 2-cyano-N,N-diethyl-5,6-dimethyl-
CAS No: 88422-31-5 Catalog No: AG008CWW MDL No:
Product Description
Catalog Number:
AG008CWW
Chemical Name:
1H-Benzimidazole-1-sulfonamide, 2-cyano-N,N-diethyl-5,6-dimethyl-
CAS Number:
88422-31-5
Molecular Formula:
C14H18N4O2S
Molecular Weight:
306.3833
IUPAC Name:
2-cyano-N,N-diethyl-5,6-dimethylbenzimidazole-1-sulfonamide
InChI:
InChI=1S/C14H18N4O2S/c1-5-17(6-2)21(19,20)18-13-8-11(4)10(3)7-12(13)16-14(18)9-15/h7-8H,5-6H2,1-4H3
InChI Key:
LSTNNIKPNWDMHB-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)n1c(C#N)nc2c1cc(C)c(c2)C)CC
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.384g/mol
Monoisotopic Mass:
306.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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