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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Benzimidazole-5-carbonitrile, 2,3-dihydro-2-oxo-

N#Cc1ccc2c(c1)[nH]c(=O)[nH]2 Request for Quotation
Chemical Name: 1H-Benzimidazole-5-carbonitrile, 2,3-dihydro-2-oxo-
CAS Number: 221289-88-9
Product Number: AG00BEZ3(AGN-PC-00DABO)
Synonyms:
MDL No:
Molecular Formula: C8H5N3O
Molecular Weight: 159.1448

Identification/Properties

Computed Properties
Molecular Weight:
159.148g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
159.043g/mol
Monoisotopic Mass:
159.043g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
254
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile is a versatile compound that finds wide application in chemical synthesis, particularly in the production of pharmaceuticals and agrochemicals. As a key intermediate, this compound serves as a crucial building block in the synthesis of various bioactive molecules due to its unique structural properties. With its diverse reactivity and functionality, 2-Oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile enables chemists to access a range of complex structures efficiently and effectively. Its incorporation in organic synthesis pathways allows for the rapid and strategic assembly of valuable compounds with potential therapeutic or agricultural significance. By facilitating the formation of bonds and the introduction of important functional groups, this compound plays a vital role in the development of new chemical entities with enhanced biological activities.