AG001EVT

147403-52-9 | 1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-, methyl ester

AG001EVT

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CAS Number	147403-52-9
Catalog Number	AG001EVT(AGN-PC-0Q0B9M)
Chemical Name	1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-, methyl ester
EC Number	692-146-2
IUPAC Name	methyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
InChI	InChI=1S/C26H22N4O5/c1-3-34-25-27-21-10-6-9-20(24(31)33-2)22(21)30(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-28-26(32)35-29-23/h4-14H,3,15H2,1-2H3,(H,28,29,32)
InChI Key	PCMXVTVLQVGYLX-UHFFFAOYSA-N
MDL Number	MFCD20527276
Molecular Formula	C26H22N4O5
Molecular Weight	470.4767
SMILES	O=C(C1=C2N(CC3=CC=C(C4=CC=CC=C4C5=NC(ON5)=O)C=C3)C(OCC)=NC2=CC=C1)OC
Synonyms	147403-52-9, Methyl 2-ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate, 1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-, methyl ester, AK164568, 1-((2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylic acid methyl ester, 1-[[2'-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]Methyl]-2-ethoxy-1H-benziMidazole-7-carboxylic acid Methyl ester, methyl 2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, PCMXVTVLQVGYLX-UHFFFAOYSA-N, SCHEMBL965217, BEN731, CHEMBL341833, KS-00000SSI, DTXSID70570361, BCP12041, MFCD20527276, ZINC13760707, AKOS025146636, DS-8623, AC-25907, FT-0696489, 1H-benzimidazole-7-carboxylic acid, 1-[[2-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1-biphenyl]-4-yl]methyl]-2-ethoxy-, methyl ester, 2-Ethoxy-1-[[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazole-3-yl)-4-biphenylyl]methyl]-1H-benzoimidazole-7-carboxylic acid methyl ester, Methyl 2-ethoxy-1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate, Methyl 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate, 1,3-Diiminoisoindoline, ACN-034445, EC 692-146-2, Methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl)methyl)-1H-benz-imidazole-7-carboxylate, methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate, Methyl 2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl]methyl}-1H-benz-imidazole-7-carboxylate,

Complexity	799
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	470.159g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	470.485g/mol
Monoisotopic Mass	470.159g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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