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Home > Imidazoles > 175714-45-1
175714-45-1 | 1H-Benzimidazole, 2-(3,4,5-trimethoxyphenyl)-
CAS No: 175714-45-1 Catalog No: AG00214D MDL No:MFCD01159102
Product Description
Catalog Number:
AG00214D
Chemical Name:
1H-Benzimidazole, 2-(3,4,5-trimethoxyphenyl)-
CAS Number:
175714-45-1
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
MDL Number:
MFCD01159102
IUPAC Name:
2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
InChI:
InChI=1S/C16H16N2O3/c1-19-13-8-10(9-14(20-2)15(13)21-3)16-17-11-6-4-5-7-12(11)18-16/h4-9H,1-3H3,(H,17,18)
InChI Key:
FBZJKGVFZOUCRC-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nc2c([nH]1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 2-(3,4,5-Trimethoxy-phen-yl)-1H-benzimidazole. | Acta crystallographica. Section E, Structure reports online 20080601 |
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