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Home > Imidazoles > 18249-98-4
18249-98-4 | 1H-Benzimidazole, 1-(methoxymethyl)-
CAS No: 18249-98-4 Catalog No: AG0023XP MDL No:MFCD00956939
Product Description
Catalog Number:
AG0023XP
Chemical Name:
1H-Benzimidazole, 1-(methoxymethyl)-
CAS Number:
18249-98-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD00956939
IUPAC Name:
1-(methoxymethyl)benzimidazole
InChI:
InChI=1S/C9H10N2O/c1-12-7-11-6-10-8-4-2-3-5-9(8)11/h2-6H,7H2,1H3
InChI Key:
IGVBEHIUIDPEKE-UHFFFAOYSA-N
SMILES:
COCn1cnc2c1cccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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