Home Other Building Blocks 5,6-dimethyl-1-(1-phenylethyl)-1H-1,3-benzodiazole

5,6-dimethyl-1-(1-phenylethyl)-1H-1,3-benzodiazole

CAS No.:
637325-01-0
Catalog Number:
AG019N7Q
Molecular Formula:
C17H18N2
Molecular Weight:
250.3382
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Product Description
Catalog Number:
AG019N7Q
Chemical Name:
5,6-dimethyl-1-(1-phenylethyl)-1H-1,3-benzodiazole
CAS Number:
637325-01-0
Molecular Formula:
C17H18N2
Molecular Weight:
250.3382
MDL Number:
MFCD04214355
IUPAC Name:
5,6-dimethyl-1-(1-phenylethyl)benzimidazole
InChI:
InChI=1S/C17H18N2/c1-12-9-16-17(10-13(12)2)19(11-18-16)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3
InChI Key:
PZEYBOSJUVVTEO-UHFFFAOYSA-N
SMILES:
Cc1cc2ncn(c2cc1C)C(c1ccccc1)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.147g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.345g/mol
Monoisotopic Mass:
250.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties