N-phenyl-1H-imidazole-2-carboxamide

Base Information

• Chemical Name: N-phenyl-1H-imidazole-2-carboxamide
• CAS No.: 63678-16-0
• Molecular Formula: C10H9N3O
• Molecular Weight: 187.201
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70384920
• Wikidata: Q82177373
• Mol file: 63678-16-0.mol

Synonyms:N-phenyl-1H-imidazole-2-carboxamide;63678-16-0;2-IMIDAZOLECARBOXYLIC ACID N-PHENYLAMIDE;HMS1442I22;imidazol-carboanilide;Maybridge3_004070;SCHEMBL7444006;DTXSID70384920;OSUMTOORAWCHGK-UHFFFAOYSA-N;CCG-47747;MFCD00171535;AKOS015994119;MS-1005;IDI1_015457;SR-01000637342-1

Chemical Property of N-phenyl-1H-imidazole-2-carboxamide

Chemical Property:

• PSA: 57.78000
• LogP: 1.73500
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.074561919
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

2-IMIDAZOLECARBOXANILIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=NC=CN2

Technology Process of N-phenyl-1H-imidazole-2-carboxamide

There total 4 articles about N-phenyl-1H-imidazole-2-carboxamide 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: 96.0%

1H-imidazole-2-carboxylic acid (16042-25-4) + aniline (62-53-3) → N-phenyl-1H-imidazole-2-carboxamide (63678-16-0)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 21h;

Reference yield: 74.0%

5H,10H-diimidazo<1,2-a:1',2'-d>pyrazine-5,10-dione dihydrochloride (74840-92-9) + aniline (62-53-3) → N-phenyl-1H-imidazole-2-carboxamide (63678-16-0)

Guidance literature:

In pyridine; Ambient temperature;

Reference yield: 50.0%

1H-imidazole (288-32-4) + 1-methyl-2-nitrobenzene (88-72-2) + phenyl isocyanate (103-71-9) → N-phenyl-1H-imidazole-2-carboxamide (63678-16-0)

Guidance literature:

In tetrachloromethane;

upstream raw materials:

5H,10H-diimidazo<1,2-a:1',2'-d>pyrazine-5,10-dione dihydrochloride

aniline

1H-imidazole

1-methyl-2-nitrobenzene

Downstream raw materials:

2-imidazolecarboxylic acid methyl ester

bis(diphenyl)urea

diimidazo<3,2-a:3',2'-d>pyrazine-5,10-dione

1-amino-N-phenyl-1H-imidazole-2-carboxamide