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Home > Imidazoles > 105949-48-2
105949-48-2 | 1H-Benzimidazole, 1-butyl-2-(phenylmethyl)-
CAS No: 105949-48-2 Catalog No: AG007WG6 MDL No:
Product Description
Catalog Number:
AG007WG6
Chemical Name:
1H-Benzimidazole, 1-butyl-2-(phenylmethyl)-
CAS Number:
105949-48-2
Molecular Formula:
C18H20N2
Molecular Weight:
264.3648
IUPAC Name:
2-benzyl-1-butylbenzimidazole
InChI:
InChI=1S/C18H20N2/c1-2-3-13-20-17-12-8-7-11-16(17)19-18(20)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChI Key:
NQVPBOHWFOQARM-UHFFFAOYSA-N
SMILES:
CCCCn1c(Cc2ccccc2)nc2c1cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.372g/mol
Monoisotopic Mass:
264.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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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