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15452-30-9 | 1-(1H-Naphtho[2,3-d]imidazol-2-yl)-ethanol
CAS No: 15452-30-9 Catalog No: AG01EU8Z MDL No:
Product Description
Catalog Number:
AG01EU8Z
Chemical Name:
1-(1H-Naphtho[2,3-d]imidazol-2-yl)-ethanol
CAS Number:
15452-30-9
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
1-(1H-benzo[f]benzimidazol-2-yl)ethanol
InChI:
InChI=1S/C13H12N2O/c1-8(16)13-14-11-6-9-4-2-3-5-10(9)7-12(11)15-13/h2-8,16H,1H3,(H,14,15)
InChI Key:
JUUWHNCMDJJGBI-UHFFFAOYSA-N
SMILES:
CC(c1nc2c([nH]1)cc1c(c2)cccc1)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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