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99206-51-6 | 4-((1H-Benzo[d]imidazol-2-yl)methyl)aniline
CAS No: 99206-51-6 Catalog No: AG006OR5 MDL No:MFCD03773319
Product Description
Catalog Number:
AG006OR5
Chemical Name:
4-((1H-Benzo[d]imidazol-2-yl)methyl)aniline
CAS Number:
99206-51-6
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
MDL Number:
MFCD03773319
IUPAC Name:
4-(1H-benzimidazol-2-ylmethyl)aniline
InChI:
InChI=1S/C14H13N3/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9,15H2,(H,16,17)
InChI Key:
PNSYWRFRQUUYMG-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1nc2c([nH]1)cccc2
NSC Number:
110307
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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