1-Phenyl-1H-benzo[d]imidazol-2(3H)-one

Base Information

• Chemical Name: 1-Phenyl-1H-benzo[d]imidazol-2(3H)-one
• CAS No.: 14813-85-5
• Molecular Formula: C13H10 N2 O
• Molecular Weight: 210.235
• Hs Code.: 2933990090
• European Community (EC) Number: 849-576-2
• DSSTox Substance ID: DTXSID20163888
• Nikkaji Number: J101.835C
• Wikidata: Q83032874
• ChEMBL ID: CHEMBL150912
• Mol file: 14813-85-5.mol

Synonyms:1-Phenyl-1H-benzo[d]imidazol-2(3H)-one;14813-85-5;3-phenyl-1H-benzimidazol-2-one;2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-;1-Phenylbenzimidazolin-2-one;1-phenyl-1,3-dihydro-benzoimidazol-2-one;2-Benzimidazolinone, 1-phenyl-;1,3-Dihydro-1-phenyl-2H-benzimidazol-2-one;1-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-one;1-Phenylbenzimidazole deriv. 52;1-Phenylbenzimidazolon;1-Phenyl-2-benzimidazolinone;hydroxyphenyl 1h benzimidazole;SCHEMBL699273;BDBM3835;CHEMBL150912;SCHEMBL12252055;1-Phenyl-1H-benzoimidazol-2-ol;1-Phenyl-2(3H)-benzimidazolone;DTXSID20163888;MFCD01658803;1-phenyl-1H-1,3-benzodiazol-2-ol;AKOS004910623;1-Phenyl-1H-benzimidazole-2(3H)-one;CS-W021364;FS-3786;1-Phenyl-1,3-dihydrobenzoimidazol-2-one;1-phenyl-2,3-dihydro-benzimidazol-2-one;LS-33383;FT-0737557;1-Phenyl-2,3-dihydro-1H-benzimidazole-2-one;1-Phenyl-1,3-dihydro-2H-benzimidazol-2-one #;EN300-7398899;1-phenyl-1,3-dihydro-2H-benzo[d]imidazol-2-one;Z1509140848

Chemical Property of 1-Phenyl-1H-benzo[d]imidazol-2(3H)-one

Chemical Property:

• Melting Point: 201-202 °C
• Boiling Point: °Cat760mmHg
• PKA: 11.61±0.30(Predicted)
• Flash Point: °C
• PSA: 38.05000
• Density: 1.264g/cm³
• LogP: 2.73110
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 210.079312947
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

97% ^*data from raw suppliers

1-Phenyl-1H-benzo[d]imidazol-2(3H)-one 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=O

Technology Process of 1-Phenyl-1H-benzo[d]imidazol-2(3H)-one

There total 54 articles about 1-Phenyl-1H-benzo[d]imidazol-2(3H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

C18H18N2O3 (1148017-10-0) → 1-phenyl-1,3-dihydrobenzoimidazol-2-one (14813-85-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2009.02.008

Reference yield: 99.0%

2-nitro-N-phenylaniline (119-75-5) + benzene-1,3,5-triyl triformate → 1-phenyl-1,3-dihydrobenzoimidazol-2-one (14813-85-5)

Guidance literature:

With selenium; triethylamine; In N,N-dimethyl-formamide; at 120 ℃; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.201801739

Reference yield: 97.0%

1-benzyl-3-phenyl-1,3-dihydro-benzoimidazole-2-one (1261604-55-0) → 1-phenyl-1,3-dihydrobenzoimidazol-2-one (14813-85-5)

Guidance literature:

With trifluorormethanesulfonic acid; In toluene; at 150 ℃; for 0.25h; Microwave irradiation; Inert atmosphere;

DOI:10.1021/ol2008878

upstream raw materials:

(2-anilino-phenyl)-urea

bis(diphenyl)urea

phosgene

N-phenyl-1,2-benzenediamine

Downstream raw materials:

1-Acetyl-3-phenyl-2-benzimidazolinon

1,3-dihydro-1-phenyl 3-(2-propynyl)-2H-benzimidazol-2-one

1-methyl-3-phenyl-1,3-dihydro-2H-benzo[d]imidazol-2-one

2-chloro-1-phenyl-1H-benzo[d]imidazole