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168434-02-4

168434-02-4 | 1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-

CAS No: 168434-02-4 Catalog No: AG001Y2G MDL No:

Product Description

Catalog Number:
AG001Y2G
Chemical Name:
1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
168434-02-4
Molecular Formula:
C22H16N6O3
Molecular Weight:
412.4008
IUPAC Name:
2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C22H16N6O3/c29-21(30)17-6-3-7-18-19(17)28(22(31)23-18)12-13-8-10-14(11-9-13)15-4-1-2-5-16(15)20-24-26-27-25-20/h1-11H,12H2,(H,23,31)(H,29,30)(H,24,25,26,27)
InChI Key:
KLCPKPIDOPBIQW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1n(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(=O)[nH]2
UNII:
RMN65A337Y

Properties

Complexity:
670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.128g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
412.409g/mol
Monoisotopic Mass:
412.128g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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