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Chemical ID: 4607055
Chemical ID:
4607055
Name [?]:
2-(4-bromophenyl)-4-phenyl-5-(p-tolyl)-3H-imidazole
SMILES [?]:
Cc1ccc(cc1)c2c([nH]c(n2)c3ccc(cc3)Br)c4ccccc4
InChi [?]:
InChI=1/C22H17BrN2/c1-15-7-9-17(10-8-15)21-20(16-5-3-2-4-6-16)24-22(25-21)18-11-13-19(23)14-12-18/h2-14H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,3,7,4,6,14,18,15,17,2,20,5,13,16,9,8,11,19,10,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCCCCCCCCCNCNCCCCCCBrCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17BrN2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3742 |
Area: | 553.992 |
Solvation: | -1.47563 |
Coulombic: | -22.148 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 389.288 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 7.37 |
LogP (Chemaxon): | 6.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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