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Home > Imidazoles > 38385-95-4
38385-95-4 | 2-(Piperidin-4-yl)-1H-benzimidazole
CAS No: 38385-95-4 Catalog No: AG0032UW MDL No:MFCD01475843
Product Description
Catalog Number:
AG0032UW
Chemical Name:
2-(Piperidin-4-yl)-1H-benzimidazole
CAS Number:
38385-95-4
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD01475843
IUPAC Name:
2-piperidin-4-yl-1H-benzimidazole
InChI:
InChI=1S/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)
InChI Key:
HBOGHPAOOWUTLB-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1nc2c([nH]1)cccc2
EC Number:
609-547-5
Properties
Complexity:
213
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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