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144702-26-1 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-, 1,1-dimethylethyl ester
CAS No: 144702-26-1 Catalog No: AG001K1S MDL No:MFCD09752830
Product Description
Catalog Number:
AG001K1S
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
144702-26-1
Molecular Formula:
C37H38N4O2
Molecular Weight:
570.7232
MDL Number:
MFCD09752830
IUPAC Name:
tert-butyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate
InChI:
InChI=1S/C37H38N4O2/c1-7-12-33-39-34-24(2)21-27(35-38-30-15-10-11-16-31(30)40(35)6)22-32(34)41(33)23-25-17-19-26(20-18-25)28-13-8-9-14-29(28)36(42)43-37(3,4)5/h8-11,13-22H,7,12,23H2,1-6H3
InChI Key:
JSCFLEBEWCTASN-UHFFFAOYSA-N
SMILES:
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)OC(C)(C)C)cc(cc2C)c1nc2c(n1C)cccc2
UNII:
H4HLP8PW27
Properties
Complexity:
928
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.299g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.737g/mol
Monoisotopic Mass:
570.299g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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