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Home > Imidazoles > 4856-97-7
4856-97-7 | (1H-Benzoimidazol-2-yl)methanol
CAS No: 4856-97-7 Catalog No: AG003EDD MDL No:MFCD00014560
Product Description
Catalog Number:
AG003EDD
Chemical Name:
(1H-Benzoimidazol-2-yl)methanol
CAS Number:
4856-97-7
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD00014560
IUPAC Name:
1H-benzimidazol-2-ylmethanol
InChI:
InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChI Key:
IAJLTMBBAVVMQO-UHFFFAOYSA-N
SMILES:
OCc1nc2c([nH]1)cccc2
EC Number:
225-451-2
NSC Number:
18284
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| A crystallographic fragment screen identifies cinnamic acid derivatives as starting points for potent Pim-1 inhibitors. | Acta crystallographica. Section D, Biological crystallography 20110301 |
| Bis[(1-methyl-1H-benzimidazol-2-yl)methanol-κN,O]bis-(thio-cyanato-κN)cobalt(II) methanol solvate. | Acta crystallographica. Section E, Structure reports online 20100201 |
| Design and synthesis of novel inhibitors of gelatinase B. | Bioorganic & medicinal chemistry letters 20020819 |
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