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Oprea1_866541,BAS 04939714,1-(2-Isopropyl-benzoimidazol-1-yl)-3-(4-met

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摘 要:Oprea1_866541,BAS 04939714,1-(2-Isopropyl-benzoimidazol-1-yl)-3-(4-methoxy-phenoxy)-propan-2-ol,5926-47-6, 1-(4-methoxyphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol,Canonical SMILES: CC(C)C1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)OC)O,InChI: InChI=
[Synonyms]
Oprea1_866541
BAS 04939714
1-(2-Isopropyl-benzoimidazol-1-yl)-3-(4-methoxy-phenoxy)-propan-2-ol
5926-47-6

[Structure]
Oprea1_866541,BAS 04939714,1-(2-Isopropyl-benzoimidazol-1-yl)-3-(4-met

[ Properties Computed from Structure]
Molecular Weight340.41616 [g/mol]
Molecular FormulaC20H24N2O3
XLogP3.4
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass340.178693
MonoIsotopic Mass340.178693
Topological Polar Surface Area56.5
Heavy Atom Count25
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(4-methoxyphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
Canonical SMILES: CC(C)C1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)OC)O
InChI: InChI=1/C20H24N2O3/c1-14(2)20-21-18-6-4-5-7-19(18)22(20)12-15(23)13-25-
17-10-8-16(24-3)9-11-17/h4-11,14-15,23H,12-13H2,1-3H3

 
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