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Chemical ID: 4312976
Chemical ID:
4312976
Name [?]:
4-(4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl-aniline
SMILES [?]:
CN(C)c1ccc(cc1)c2[nH]c(c(n2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H21N3/c1-26(2)20-15-13-19(14-16-20)23-24-21(17-9-5-3-6-10-17)22(25-23)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,18,24,17,19,23,25,16,20,22,26,6,8,5,9,15,21,7,4,13,12,10,14,11,2/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(21,22)(24,25)/rA:26nCNCCCCCCCCNCCNCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;d10s13;s13;s15;d16;s17;d18;d15s19;s12;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9977 |
Area: | 564.082 |
Solvation: | -2.10436 |
Coulombic: | -27.8041 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.34 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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