Chemical ID: 4268780

c1ccc(cc1)c2c(nc([nH]2)c3ccc(cc3)Br)c4ccccc4
Chemical ID:
4268780
Name [?]:
2-(4-bromophenyl)-4,5-diphenyl-1H-imidazole
SMILES [?]:
c1ccc(cc1)c2c(nc([nH]2)c3ccc(cc3)Br)c4ccccc4
InChi [?]:
InChI=1/C21H15BrN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,13,17,14,16,4,19,12,15,7,8,10,18,11,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(19,20)(23,24)/rA:24nCCCCCCCCNCNCCCCCCBrCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;s8;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15BrN2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8095
Area:531.489
Solvation:-1.47773
Coulombic:-22.3789
Bond Count [?]
All:27
Single:16
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.261
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.93
LogP (Chemaxon):6.37

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Descriptor Annotations

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