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Home > Imidazoles > 74039-64-8
74039-64-8 | 8-[4-(1h-benzimidazol-2-yl)butyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
CAS No: 74039-64-8 Catalog No: AG008P71 MDL No:
Product Description
Catalog Number:
AG008P71
Chemical Name:
8-[4-(1h-benzimidazol-2-yl)butyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
CAS Number:
74039-64-8
Molecular Formula:
C18H20N6O2
Molecular Weight:
352.3904
IUPAC Name:
8-[4-(1H-benzimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione
InChI:
InChI=1S/C18H20N6O2/c1-23-16-15(17(25)24(2)18(23)26)21-14(22-16)10-6-5-9-13-19-11-7-3-4-8-12(11)20-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChI Key:
VEFLECDGOCHYBW-UHFFFAOYSA-N
SMILES:
Cn1c2nc([nH]c2c(=O)n(c1=O)C)CCCCc1nc2c([nH]1)cccc2
NSC Number:
81509
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.398g/mol
Monoisotopic Mass:
352.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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