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Home > Imidazoles > 709000-02-2
709000-02-2 | 2-[1-(6-methoxy-2-naphthyl)ethyl]-1H-benzimidazole
CAS No: 709000-02-2 Catalog No: AG00JDSF MDL No:MFCD05900481
Product Description
Catalog Number:
AG00JDSF
Chemical Name:
2-[1-(6-methoxy-2-naphthyl)ethyl]-1H-benzimidazole
CAS Number:
709000-02-2
Molecular Formula:
C20H18N2O
Molecular Weight:
302.3697
MDL Number:
MFCD05900481
IUPAC Name:
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1H-benzimidazole
InChI:
InChI=1S/C20H18N2O/c1-13(20-21-18-5-3-4-6-19(18)22-20)14-7-8-16-12-17(23-2)10-9-15(16)11-14/h3-13H,1-2H3,(H,21,22)
InChI Key:
UDIAOOPLLRAFMQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)C(c1nc2c([nH]1)cccc2)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.377g/mol
Monoisotopic Mass:
302.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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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