Chemical ID: 4329146

COc1cc(cc(c1O)OC)c2[nH]c(c(n2)c3ccccc3)c4ccccc4
Chemical ID:
4329146
Name [?]:
4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxy-phenol
SMILES [?]:
COc1cc(cc(c1O)OC)c2[nH]c(c(n2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,11,20,26,19,21,25,27,18,22,24,28,4,6,17,23,5,3,7,15,14,8,12,16,13,9,2,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(18,19)(20,21)(24,25)(27,28)/rA:28nCOCCCCCCOOCCNCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;s12;s13;d14;d12s15;s15;s17;d18;s19;d20;d17s21;s14;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.15341
Area:588.519
Solvation:-5.55955
Coulombic:-50.5991
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.417
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.56
LogP (Chemaxon):4.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue