Name: Name:1-[(2’-Cyano-1,1’-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic Acid Methyl Ester
Brand: Angene
SKU: AG0038XP
Rating: 90 (10 reviews)

1-[(2’-Cyano-1,1’-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic Acid Methyl Ester

CAS No.:

139481-44-0

Catalog Number:

AG0038XP

Molecular Formula:

C25H21N3O3

Molecular Weight:

411.4525

Catalog Number:

AG0038XP

Chemical Name:

1-[(2’-Cyano-1,1’-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic Acid Methyl Ester

CAS Number:

139481-44-0

Molecular Formula:

C25H21N3O3

Molecular Weight:

411.4525

MDL Number:

MFCD09031384

IUPAC Name:

methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate

InChI:

InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3

InChI Key:

KSXLHOFDCDKQLH-UHFFFAOYSA-N

SMILES:

CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)c(ccc2)C(=O)OC

EC Number:

604-137-2

Complexity:

654

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

411.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.461g/mol

Monoisotopic Mass:

411.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9