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Home > Imidazoles > 313524-30-0
313524-30-0 | 4-[2-(1H-benzimidazol-2-yl)ethyl]aniline
CAS No: 313524-30-0 Catalog No: AG00J44H MDL No:MFCD00608303
Product Description
Catalog Number:
AG00J44H
Chemical Name:
4-[2-(1H-benzimidazol-2-yl)ethyl]aniline
CAS Number:
313524-30-0
Molecular Formula:
C15H15N3
Molecular Weight:
237.2997
MDL Number:
MFCD00608303
IUPAC Name:
4-[2-(1H-benzimidazol-2-yl)ethyl]aniline
InChI:
InChI=1S/C15H15N3/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-6,8-9H,7,10,16H2,(H,17,18)
InChI Key:
WRQCBLDRUKMAOQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CCc1nc2c([nH]1)cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.306g/mol
Monoisotopic Mass:
237.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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