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Chemical ID: 4268780
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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