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Home > Imidazoles > 630091-38-2
630091-38-2 | 1H-Benzimidazole,2-(methoxymethyl)-5-methyl-(9CI)
CAS No: 630091-38-2 Catalog No: AG00EE75 MDL No:MFCD06312140
Product Description
Catalog Number:
AG00EE75
Chemical Name:
1H-Benzimidazole,2-(methoxymethyl)-5-methyl-(9CI)
CAS Number:
630091-38-2
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD06312140
IUPAC Name:
2-(methoxymethyl)-6-methyl-1H-benzimidazole
InChI:
InChI=1S/C10H12N2O/c1-7-3-4-8-9(5-7)12-10(11-8)6-13-2/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
RQKDVZDASNHPNC-UHFFFAOYSA-N
SMILES:
COCc1nc2c([nH]1)ccc(c2)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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