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51276-85-8 | 1H-Benzimidazol-5-ol,2-amino-(9CI)
CAS No: 51276-85-8 Catalog No: AG00DAFL MDL No:MFCD02752051
Product Description
Catalog Number:
AG00DAFL
Chemical Name:
1H-Benzimidazol-5-ol,2-amino-(9CI)
CAS Number:
51276-85-8
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD02752051
IUPAC Name:
2-amino-3H-benzimidazol-5-ol
InChI:
InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)
InChI Key:
FNSYWIPPPFVBAV-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nc([nH]2)N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. | The Biochemical journal 20101001 |
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