Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1H-benzimidazole-7-carboxylate - CAS 139481-41-7
Catalog: |
BB008951 |
Product Name: |
Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1H-benzimidazole-7-carboxylate |
CAS: |
139481-41-7 |
Synonyms: |
3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-4-benzimidazolecarboxylic acid ethyl ester; ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate |
IUPAC Name: | ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate |
Description: | Ethyl 1-[(2'-Cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzoimidazole-7-carboxylate (CAS# 139481-41-7 ) is a useful research chemical. |
Molecular Weight: | 425.48 |
Molecular Formula: | C26H23N3O3 |
Canonical SMILES: | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC |
InChI: | InChI=1S/C26H23N3O3/c1-3-31-25(30)22-10-7-11-23-24(22)29(26(28-23)32-4-2)17-18-12-14-19(15-13-18)21-9-6-5-8-20(21)16-27/h5-15H,3-4,17H2,1-2H3 |
InChI Key: | GYTTUVXCCHRIBA-UHFFFAOYSA-N |
Boiling Point: | 637.542 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.19 g/cm3 |
Appearance: | White to light yellow crystalline powder |
MDL: | MFCD09030636 |
LogP: | 5.19868 |
Publication Number | Title | Priority Date |
CN-105646457-A | Synthetic process for candesartan cilexetil | 20141110 |
KR-20100055961-A | New preparation method of a hypertension therapeutic agent having a biphenyl group containing tetrazole | 20081118 |
EP-2139866-A2 | Crystalline 1-(cyclohexyloxycarbonyloxy) ethyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate and a process for its preparation | 20070424 |
EP-2139866-B1 | Crystalline 1-(cyclohexyloxycarbonyloxy) ethyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate and a process for its preparation | 20070424 |
WO-2008129077-A2 | Crystalline 1-(cyclohexyloxycarbonyloxy) ethyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate and a process for its preparation | 20070424 |
Complexity: | 669 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 425.1739416 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 425.1739416 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 77.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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