Chemical ID: 4607055

Cc1ccc(cc1)c2c([nH]c(n2)c3ccc(cc3)Br)c4ccccc4
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

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