Name: Name:5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole
Brand: Angene
SKU: AG019N7G
Rating: 90 (10 reviews)

5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

CAS No.:

141211-39-4

Catalog Number:

AG019N7G

Molecular Formula:

C17H18N2

Molecular Weight:

250.3382

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Product Description

Catalog Number:

AG019N7G

Chemical Name:

5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

CAS Number:

141211-39-4

Molecular Formula:

C17H18N2

Molecular Weight:

250.3382

MDL Number:

MFCD04217361

IUPAC Name:

5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole

InChI:

InChI=1S/C17H18N2/c1-12-4-6-15(7-5-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3

InChI Key:

PRIOFQYYSHATGH-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)Cn1cnc2c1cc(C)c(c2)C

Properties

Complexity:

296

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.345g/mol

Monoisotopic Mass:

250.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101