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Home > Imidazoles > 69570-95-2
69570-95-2 | N,N-DIMETHYL-4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)ANILINE
CAS No: 69570-95-2 Catalog No: AG005KS5 MDL No:
Product Description
Catalog Number:
AG005KS5
Chemical Name:
N,N-DIMETHYL-4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)ANILINE
CAS Number:
69570-95-2
Molecular Formula:
C16H17N3
Molecular Weight:
251.3263
IUPAC Name:
N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
InChI:
InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)
InChI Key:
DCBQWCSRVVGWAN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc([nH]2)c1ccc(cc1)N(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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