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Home > Imidazoles > 3652-94-6
3652-94-6 | 1H-Benzimidazole, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-dimethyl-
CAS No: 3652-94-6 Catalog No: AG0079NV MDL No:
Product Description
Catalog Number:
AG0079NV
Chemical Name:
1H-Benzimidazole, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-dimethyl-
CAS Number:
3652-94-6
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2H-benzimidazole
InChI:
InChI=1S/C16H16N2O2/c1-17-12-5-3-4-6-13(12)18(2)16(17)11-7-8-14-15(9-11)20-10-19-14/h3-9,16H,10H2,1-2H3
InChI Key:
BADRXCZZUGMXDN-UHFFFAOYSA-N
SMILES:
CN1C(c2ccc3c(c2)OCO3)N(c2c1cccc2)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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