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Home > Imidazoles > 917957-35-8
917957-35-8 | 1H-Benzimidazole-6-carboxamide,4-hydroxy-N,N,1,2-tetramethyl-5-[3-(2-methylphenyl)-3-oxopropyl]-
CAS No: 917957-35-8 Catalog No: AG006MEK MDL No:
Product Description
Catalog Number:
AG006MEK
Chemical Name:
1H-Benzimidazole-6-carboxamide,4-hydroxy-N,N,1,2-tetramethyl-5-[3-(2-methylphenyl)-3-oxopropyl]-
CAS Number:
917957-35-8
Molecular Formula:
C22H25N3O3
Molecular Weight:
379.4522
IUPAC Name:
7-hydroxy-N,N,2,3-tetramethyl-6-[3-(2-methylphenyl)-3-oxopropyl]benzimidazole-5-carboxamide
InChI:
InChI=1S/C22H25N3O3/c1-13-8-6-7-9-15(13)19(26)11-10-16-17(22(28)24(3)4)12-18-20(21(16)27)23-14(2)25(18)5/h6-9,12,27H,10-11H2,1-5H3
InChI Key:
YHLFRIHJAIQOLZ-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cc2c(c(c1CCC(=O)c1ccccc1C)O)nc(n2C)C)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.19g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.46g/mol
Monoisotopic Mass:
379.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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