Name: Name:2H-Benzimidazol-2-one, 5-amino-6-bromo-1,3-dihydro-1,3-dimethyl-
Brand: Angene
SKU: AG002PFB
Rating: 90 (10 reviews)

2H-Benzimidazol-2-one, 5-amino-6-bromo-1,3-dihydro-1,3-dimethyl-

CAS No.:

24786-52-5

Catalog Number:

AG002PFB

Molecular Formula:

C9H10BrN3O

Molecular Weight:

256.0992

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Product Description

Catalog Number:

AG002PFB

Chemical Name:

2H-Benzimidazol-2-one, 5-amino-6-bromo-1,3-dihydro-1,3-dimethyl-

CAS Number:

24786-52-5

Molecular Formula:

C9H10BrN3O

Molecular Weight:

256.0992

MDL Number:

MFCD06618584

IUPAC Name:

5-amino-6-bromo-1,3-dimethylbenzimidazol-2-one

InChI:

InChI=1S/C9H10BrN3O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,11H2,1-2H3

InChI Key:

SXPRALARBJCCIH-UHFFFAOYSA-N

SMILES:

Nc1cc2c(cc1Br)n(c(=O)n2C)C

Properties

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.001g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.103g/mol

Monoisotopic Mass:

255.001g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

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

Properties