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Home > Imidazoles > 123771-23-3
123771-23-3 | 1H-Benzimidazole, 2-(3-piperidinyl)-
CAS No: 123771-23-3 Catalog No: AG000L2K MDL No:MFCD06738924
Product Description
Catalog Number:
AG000L2K
Chemical Name:
1H-Benzimidazole, 2-(3-piperidinyl)-
CAS Number:
123771-23-3
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD06738924
IUPAC Name:
2-piperidin-3-yl-1H-benzimidazole
InChI:
InChI=1S/C12H15N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)
InChI Key:
LQZIJJKVPOTLRE-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1nc2c([nH]1)cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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