CAS 71002-88-5 | 4-(5-Nitro-1H-benzo[d]imidazol-2-yl);aniline | CAS Number 71002-88-5

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71002-88-5 | 4-(5-Nitro-1H-benzo[d]imidazol-2-yl);aniline

CAS No: 71002-88-5 Catalog No: AG003K5F MDL No:MFCD00430514

Product Description

Catalog Number:

AG003K5F

Chemical Name:

4-(5-Nitro-1H-benzo[d]imidazol-2-yl);aniline

CAS Number:

71002-88-5

Molecular Formula:

C13H10N4O2

Molecular Weight:

254.2441

MDL Number:

MFCD00430514

IUPAC Name:

4-(6-nitro-1H-benzimidazol-2-yl)aniline

InChI:

InChI=1S/C13H10N4O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h1-7H,14H2,(H,15,16)

InChI Key:

VQAXRPAGHNBDHU-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)c1nc2c([nH]1)ccc(c2)[N+](=O)[O-]

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.249g/mol

Monoisotopic Mass:

254.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Antiviral activity of benzimidazole derivatives. II. Antiviral activity of 2-phenylbenzimidazole derivatives.	Bioorganic & medicinal chemistry 20100415
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501