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88670-76-2 | 1H-Benzimidazole, 1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS No: 88670-76-2 Catalog No: AG0048DB MDL No:
Product Description
Catalog Number:
AG0048DB
Chemical Name:
1H-Benzimidazole, 1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS Number:
88670-76-2
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
IUPAC Name:
1-[2-(4-phenylmethoxyphenoxy)ethyl]benzimidazole
InChI:
InChI=1S/C22H20N2O2/c1-2-6-18(7-3-1)16-26-20-12-10-19(11-13-20)25-15-14-24-17-23-21-8-4-5-9-22(21)24/h1-13,17H,14-16H2
InChI Key:
HSGPIQPARZNFTD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc(cc1)OCCn1cnc2c1cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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