1H-Benzimidazole-4-carboxamide

Base Information

• Chemical Name: 1H-Benzimidazole-4-carboxamide
• CAS No.: 188106-81-2
• Molecular Formula: C₈H₇N₃O
• Molecular Weight: 161.163
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40435953
• Wikidata: Q82251095
• Pharos Ligand ID: 9887MZMJHT5Q
• ChEMBL ID: CHEMBL133694
• Mol file: 188106-81-2.mol

Synonyms:188106-81-2;1H-Benzo[d]imidazole-4-carboxamide;1H-BENZIMIDAZOLE-4-CARBOXAMIDE;1H-1,3-benzodiazole-4-carboxamide;CHEMBL133694;1H-Benzimidazole-4-carboxamide(9CI);1H-Benzimidazole-7-carboxamide;benzimidazole-4-carboxamide;benzimidazole-4-amide;SCHEMBL630485;BDBM27088;DTXSID40435953;JJDMKDXGNVJWCD-UHFFFAOYSA-N;1H-benzimidazole-4-carboxamide, 1;EN300-133183;Z1255430314

Chemical Property of 1H-Benzimidazole-4-carboxamide

Chemical Property:

• PSA: 72.76000
• LogP: 1.54600
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.058911855
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

98% ^*data from raw suppliers

1H-Benzo[d]imidazole-4-carboxamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)NC=N2)C(=O)N

Technology Process of 1H-Benzimidazole-4-carboxamide

There total 6 articles about 1H-Benzimidazole-4-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:

benzimidazole-4-carboxylic acid (46006-36-4) → NU1066 (188106-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 3 h / Heating

2: conc. aq. NH₃ / tetrahydrofuran

With ammonium hydroxide; thionyl chloride; In tetrahydrofuran;

DOI:10.1021/jm000950v

Reference yield:

3-nitroanthranilic acid (606-18-8) → NU1066 (188106-81-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 66 percent / H₂ / 10percent Pd/C / methanol / 760.05 Torr

2: 77 percent / 4 M HCl / 1 h / Heating

3: SOCl₂ / 3 h / Heating

4: conc. aq. NH₃ / tetrahydrofuran

With hydrogenchloride; ammonium hydroxide; thionyl chloride; hydrogen; 10percent Pd/C; In tetrahydrofuran; methanol;

DOI:10.1021/jm000950v

Reference yield:

2-carbamoyl-3-nitrobenzoic acid (77326-45-5) → NU1066 (188106-81-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 93 percent / Br₂; aq. KOH / 3 h / 60 °C

2: 66 percent / H₂ / 10percent Pd/C / methanol / 760.05 Torr

3: 77 percent / 4 M HCl / 1 h / Heating

4: SOCl₂ / 3 h / Heating

5: conc. aq. NH₃ / tetrahydrofuran

With hydrogenchloride; potassium hydroxide; ammonium hydroxide; thionyl chloride; hydrogen; bromine; 10percent Pd/C; In tetrahydrofuran; methanol;

DOI:10.1021/jm000950v

upstream raw materials:

1H-benzimidazole-4-carbonyl chloride

3-nitroanthranilic acid

2-carbamoyl-3-nitrobenzoic acid

benzimidazole-4-carboxylic acid