2-[[4-[[2-Butyl-6-(Methylcarbamoyl-Pentylamino)Benzimidazol-1-Yl]Methyl]Phenyl]Carbamoyl]-3,6-Dichlorobenzoic Acid
[CAS# 142023-57-2]

Identification

• Name: 2-[[4-[[2-Butyl-6-(Methylcarbamoyl-Pentylamino)Benzimidazol-1-Yl]Methyl]Phenyl]Carbamoyl]-3,6-Dichlorobenzoic Acid
• Synonyms: 2-[[4-[[2-Butyl-6-(Methylcarbamoyl-Pentyl-Amino)Benzimidazol-1-Yl]Methyl]Phenyl]Carbamoyl]-3,6-Dichloro-Benzoic Acid; 2-[[[4-[[2-Butyl-6-(Methylcarbamoyl-Pentylamino)-1-Benzimidazolyl]Methyl]Phenyl]Amino]-Oxomethyl]-3,6-Dichlorobenzoic Acid; 2-[[4-[[6-(Amyl-(Methylcarbamoyl)Amino)-2-Butyl-Benzimidazol-1-Yl]Methyl]Phenyl]Carbamoyl]-3,6-Dichloro-Benzoic Acid
• Molecular Formula: C₃₃H₃₇Cl₂N₅O₄
• Molecular Weight: 638.59
• CAS Registry Number: 142023-57-2
• SMILES: C1=C(N(C(=O)NC)CCCCC)C=CC2=C1[N](C(=N2)CCCC)CC4=CC=C(NC(=O)C3=C(Cl)C=CC(=C3C(=O)O)Cl)C=C4
• InChI: 1S/C33H37Cl2N5O4/c1-4-6-8-18-39(33(44)36-3)23-14-17-26-27(19-23)40(28(38-26)9-7-5-2)20-21-10-12-22(13-11-21)37-31(41)29-24(34)15-16-25(35)30(29)32(42)43/h10-17,19H,4-9,18,20H2,1-3H3,(H,36,44)(H,37,41)(H,42,43)
• InChIKey: ZHWGRXBJGUEATA-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 805.448°C at 760 mmHg (Cal.)
• Flash point: 440.919°C (Cal.)