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Chemical ID: 4329146
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
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Experimental Annotations
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Descriptor Annotations
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