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Chemical ID: 6747800
Chemical ID:
6747800
Name [?]:
4,5-bis(4-methoxyphenyl)-2-(p-tolyl)-1,3-dihydroimidazole
SMILES [?]:
Cc1ccc(cc1)c2[nH]c(c([nH+]2)c3ccc(cc3)OC)c4ccc(cc4)OC
InChi [?]:
InChI=1/C24H22N2O2/c1-16-4-6-19(7-5-16)24-25-22(17-8-12-20(27-2)13-9-17)23(26-24)18-10-14-21(28-3)15-11-18/h4-15H,1-3H3,(H,25,26)/p+1
InChi Info:
AuxInfo=1/1/N:1,20,28,3,7,4,6,14,18,22,26,15,17,23,25,2,13,21,5,16,24,11,10,8,12,9,19,27/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,13,14,15)(17,18)(20,21)(22,23)(25,26)(27,28)/rA:28nCCCCCCCCNCCN+CCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;d8s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N2O2+ |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.1387 |
Area: | 603.644 |
Solvation: | -34.2298 |
Coulombic: | -23.2223 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 371.452 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.55 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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